N-[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4S)-5-[3-[[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4R)-5-[3-[[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-4-yl]-4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C129H140F6N36O15 — CID 167107311

About N-[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4S)-5-[3-[[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4R)-5-[3-[[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-4-yl]-4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4S)-5-[3-[[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4R)-5-[3-[[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-4-yl]-4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167107311) has the molecular formula C129H140F6N36O15 and a molecular weight of 2548.76 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4S)-5-[3-[[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4R)-5-[3-[[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-4-yl]-4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4S)-5-[3-[[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4R)-5-[3-[[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-4-yl]-4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 167107311
• Molecular Formula: C129H140F6N36O15
• Molecular Weight: 2548.76 g/mol
• Exact Mass: 2547.12
• IUPAC Name: N-[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4S)-5-[3-[[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4R)-5-[3-[[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-4-yl]-4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: C[C@@H]1CN(CC2CCC(n3cc(NC(=O)c4cnn5ccc(N6C[C@H]7C[C@@H]6C(C6C[C@H](n8cc(NC(=O)c9cnn%10ccc(N%11C[C@H]%12C[C@]%11(C%11C[C@H](n%13cc(NC(=O)c%14cnn%15ccc(N%16C[C@H]%17C[C@@H]%16CO%17)nc%14%15)c(C(F)F)n%13)CC[C@H]%11CN%11CC[C@@H](OCC#Cc%13ccn%14c(N%15CCC(=O)NC%15=O)cnc%14c%13)[C@H](C)C%11)CO%12)nc9%10)c(C(F)F)n8)CC[C@H]6CN6CC[C@H](OCC#Cc8ccn9c(N%10CCC(=O)NC%10=O)cnc9c8)[C@@H](C)C6)O7)nc45)c(C(F)F)n3)CC2)CC[C@H]1OCC#Cc1cccn2c(N3CCC(=O)NC3=O)cnc12
• InChI: InChI=1S/C129H140F6N36O15/c1-73-59-154(32-22-98(73)183-45-7-11-79-10-4-31-159-111(58-138-119(79)159)162-39-30-108(174)150-128(162)180)62-78-12-16-82(17-13-78)169-68-94(112(151-169)116(130)131)142-124(176)91-54-140-167-41-26-102(146-121(91)167)164-66-87-51-97(164)115(186-87)89-49-83(18-14-80(89)63-155-33-23-99(74(2)60-155)181-43-5-8-76-20-35-157-104(46-76)136-56-109(157)160-37-28-106(172)148-126(160)178)170-69-95(113(152-170)117(132)133)143-125(177)92-55-141-168-42-27-103(147-122(92)168)165-67-88-52-129(165,72-185-88)93-50-84(171-70-96(114(153-171)118(134)135)144-123(175)90-53-139-166-40-25-101(145-120(90)166)163-65-86-48-85(163)71-184-86)19-15-81(93)64-156-34-24-100(75(3)61-156)182-44-6-9-77-21-36-158-105(47-77)137-57-110(158)161-38-29-107(173)149-127(161)179/h4,10,20-21,25-27,31,35-36,40-42,46-47,53-58,68-70,73-75,78,80-89,93,97-100,115-118H,12-19,22-24,28-30,32-34,37-39,43-45,48-52,59-67,71-72H2,1-3H3,(H,142,176)(H,143,177)(H,144,175)(H,148,172,178)(H,149,173,179)(H,150,174,180)/t73-,74+,75-,78?,80+,81+,82?,83-,84-,85-,86-,87-,88-,89?,93?,97-,98-,99+,100-,115?,129-/m1/s1
• InChIKey: GNIOLIHJANXVOM-BPBMLMOQSA-N
• XLogP: 13.31
• TPSA: 506.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 32
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2548.76
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4S)-5-[3-[[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4R)-5-[3-[[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-4-yl]-4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4S)-5-[3-[[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4R)-5-[3-[[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-4-yl]-4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167107311) is N-[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4S)-5-[3-[[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4R)-5-[3-[[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-4-yl]-4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4S)-5-[3-[[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4R)-5-[3-[[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-4-yl]-4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4S)-5-[3-[[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4R)-5-[3-[[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-4-yl]-4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@@H]1CN(CC2CCC(n3cc(NC(=O)c4cnn5ccc(N6C[C@H]7C[C@@H]6C(C6C[C@H](n8cc(NC(=O)c9cnn%10ccc(N%11C[C@H]%12C[C@]%11(C%11C[C@H](n%13cc(NC(=O)c%14cnn%15ccc(N%16C[C@H]%17C[C@@H]%16CO%17)nc%14%15)c(C(F)F)n%13)CC[C@H]%11CN%11CC[C@@H](OCC#Cc%13ccn%14c(N%15CCC(=O)NC%15=O)cnc%14c%13)[C@H](C)C%11)CO%12)nc9%10)c(C(F)F)n8)CC[C@H]6CN6CC[C@H](OCC#Cc8ccn9c(N%10CCC(=O)NC%10=O)cnc9c8)[C@@H](C)C6)O7)nc45)c(C(F)F)n3)CC2)CC[C@H]1OCC#Cc1cccn2c(N3CCC(=O)NC3=O)cnc12.

What is the InChIKey of N-[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4S)-5-[3-[[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4R)-5-[3-[[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-4-yl]-4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is GNIOLIHJANXVOM-BPBMLMOQSA-N. The full InChI is InChI=1S/C129H140F6N36O15/c1-73-59-154(32-22-98(73)183-45-7-11-79-10-4-31-159-111(58-138-119(79)159)162-39-30-108(174)150-128(162)180)62-78-12-16-82(17-13-78)169-68-94(112(151-169)116(130)131)142-124(176)91-54-140-167-41-26-102(146-121(91)167)164-66-87-51-97(164)115(186-87)89-49-83(18-14-80(89)63-155-33-23-99(74(2)60-155)181-43-5-8-76-20-35-157-104(46-76)136-56-109(157)160-37-28-106(172)148-126(160)178)170-69-95(113(152-170)117(132)133)143-125(177)92-55-141-168-42-27-103(147-122(92)168)165-67-88-52-129(165,72-185-88)93-50-84(171-70-96(114(153-171)118(134)135)144-123(175)90-53-139-166-40-25-101(145-120(90)166)163-65-86-48-85(163)71-184-86)19-15-81(93)64-156-34-24-100(75(3)61-156)182-44-6-9-77-21-36-158-105(47-77)137-57-110(158)161-38-29-107(173)149-127(161)179/h4,10,20-21,25-27,31,35-36,40-42,46-47,53-58,68-70,73-75,78,80-89,93,97-100,115-118H,12-19,22-24,28-30,32-34,37-39,43-45,48-52,59-67,71-72H2,1-3H3,(H,142,176)(H,143,177)(H,144,175)(H,148,172,178)(H,149,173,179)(H,150,174,180)/t73-,74+,75-,78?,80+,81+,82?,83-,84-,85-,86-,87-,88-,89?,93?,97-,98-,99+,100-,115?,129-/m1/s1.

What are the key properties of N-[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4S)-5-[3-[[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4R)-5-[3-[[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-4-yl]-4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4S)-5-[3-[[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4R)-5-[3-[[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-4-yl]-4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 2548.76 g/mol, XLogP of 13.31, 32 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4S)-5-[3-[[3-(difluoromethyl)-1-[(1R,4R)-3-[(1R,4R)-5-[3-[[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]-4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]carbamoyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-oxa-5-azabicyclo[2.2.1]heptan-4-yl]-4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167107311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).