N-[3-(difluoromethyl)-1-[1-[[3-[4-(2-oxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C43H54F2N10O4 — CID 167439936

About N-[3-(difluoromethyl)-1-[1-[[3-[4-(2-oxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[3-(difluoromethyl)-1-[1-[[3-[4-(2-oxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167439936) has the molecular formula C43H54F2N10O4 and a molecular weight of 812.97 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-[1-[[3-[4-(2-oxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(difluoromethyl)-1-[1-[[3-[4-(2-oxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 167439936
• Molecular Formula: C43H54F2N10O4
• Molecular Weight: 812.97 g/mol
• Exact Mass: 812.43
• IUPAC Name: N-[3-(difluoromethyl)-1-[1-[[3-[4-(2-oxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1cn(C2CCN(CC3CCC4(CC3)CCN(C(=O)c3ccc(C5CCCNC5=O)cc3)CC4)CC2)nc1C(F)F)c1cnn2ccc(N3CCOCC3)nc12
• InChI: InChI=1S/C43H54F2N10O4/c44-38(45)37-35(48-41(57)34-26-47-54-19-11-36(49-39(34)54)52-22-24-59-25-23-52)28-55(50-37)32-9-17-51(18-10-32)27-29-7-12-43(13-8-29)14-20-53(21-15-43)42(58)31-5-3-30(4-6-31)33-2-1-16-46-40(33)56/h3-6,11,19,26,28-29,32-33,38H,1-2,7-10,12-18,20-25,27H2,(H,46,56)(H,48,57)
• InChIKey: JTLURFPNIVHUIY-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 142.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	812.97
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-[1-[[3-[4-(2-oxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-(difluoromethyl)-1-[1-[[3-[4-(2-oxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167439936) is N-[3-(difluoromethyl)-1-[1-[[3-[4-(2-oxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-(difluoromethyl)-1-[1-[[3-[4-(2-oxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-(difluoromethyl)-1-[1-[[3-[4-(2-oxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cn(C2CCN(CC3CCC4(CC3)CCN(C(=O)c3ccc(C5CCCNC5=O)cc3)CC4)CC2)nc1C(F)F)c1cnn2ccc(N3CCOCC3)nc12.

What is the InChIKey of N-[3-(difluoromethyl)-1-[1-[[3-[4-(2-oxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is JTLURFPNIVHUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H54F2N10O4/c44-38(45)37-35(48-41(57)34-26-47-54-19-11-36(49-39(34)54)52-22-24-59-25-23-52)28-55(50-37)32-9-17-51(18-10-32)27-29-7-12-43(13-8-29)14-20-53(21-15-43)42(58)31-5-3-30(4-6-31)33-2-1-16-46-40(33)56/h3-6,11,19,26,28-29,32-33,38H,1-2,7-10,12-18,20-25,27H2,(H,46,56)(H,48,57).

What are the key properties of N-[3-(difluoromethyl)-1-[1-[[3-[4-(2-oxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?

N-[3-(difluoromethyl)-1-[1-[[3-[4-(2-oxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 812.97 g/mol, XLogP of 5.70, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(difluoromethyl)-1-[1-[[3-[4-(2-oxopiperidin-3-yl)benzoyl]-3-azaspiro[5.5]undecan-9-yl]methyl]piperidin-4-yl]pyrazol-4-yl]-5-morpholin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167439936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).