N-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide

C46H45FN10O7 — CID 154655083

IUPACN-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cccc(CC(C)Oc2nc3nc(C45COC(C)(C4)C5)cn3cc2NC(=O)c2cnn3cccc(F)c23)c1C(=O)Nc1cn2cc(C34COC(C)(C3)C4)nc2nc1OC1CC1
InChIInChI=1S/C46H45FN10O7/c1-25(63-39-30(49-37(58)28-14-48-57-12-6-8-29(47)36(28)57)15-55-17-33(51-41(55)53-39)45-19-43(2,20-45)61-23-45)13-26-7-5-9-32(60-4)35(26)38(59)50-31-16-56-18-34(46-21-44(3,22-46)62-24-46)52-42(56)54-40(31)64-27-10-11-27/h5-9,12,14-18,25,27H,10-11,13,19-24H2,1-4H3,(H,49,58)(H,50,59)
InChIKeyKOLMRPZIIVIKDL-UHFFFAOYSA-N
MW868.93 g/mol
LogP6.26
Rot. Bonds13

About N-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide

N-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 154655083) has the molecular formula C46H45FN10O7 and a molecular weight of 868.93 g/mol. Its IUPAC name is N-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide
PubChem CID154655083
Molecular FormulaC46H45FN10O7
Molecular Weight868.93 g/mol
Exact Mass868.35
IUPAC NameN-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide
SMILESCOc1cccc(CC(C)Oc2nc3nc(C45COC(C)(C4)C5)cn3cc2NC(=O)c2cnn3cccc(F)c23)c1C(=O)Nc1cn2cc(C34COC(C)(C3)C4)nc2nc1OC1CC1
InChIInChI=1S/C46H45FN10O7/c1-25(63-39-30(49-37(58)28-14-48-57-12-6-8-29(47)36(28)57)15-55-17-33(51-41(55)53-39)45-19-43(2,20-45)61-23-45)13-26-7-5-9-32(60-4)35(26)38(59)50-31-16-56-18-34(46-21-44(3,22-46)62-24-46)52-42(56)54-40(31)64-27-10-11-27/h5-9,12,14-18,25,27H,10-11,13,19-24H2,1-4H3,(H,49,58)(H,50,59)
InChIKeyKOLMRPZIIVIKDL-UHFFFAOYSA-N
XLogP6.26
TPSA182.03 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500868.93
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze N-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide?
The IUPAC name of N-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide (CID 154655083) is N-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide?
The canonical SMILES for N-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide is COc1cccc(CC(C)Oc2nc3nc(C45COC(C)(C4)C5)cn3cc2NC(=O)c2cnn3cccc(F)c23)c1C(=O)Nc1cn2cc(C34COC(C)(C3)C4)nc2nc1OC1CC1.
What is the InChIKey of N-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide?
The InChIKey is KOLMRPZIIVIKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H45FN10O7/c1-25(63-39-30(49-37(58)28-14-48-57-12-6-8-29(47)36(28)57)15-55-17-33(51-41(55)53-39)45-19-43(2,20-45)61-23-45)13-26-7-5-9-32(60-4)35(26)38(59)50-31-16-56-18-34(46-21-44(3,22-46)62-24-46)52-42(56)54-40(31)64-27-10-11-27/h5-9,12,14-18,25,27H,10-11,13,19-24H2,1-4H3,(H,49,58)(H,50,59).
What are the key properties of N-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide?
N-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 868.93 g/mol, XLogP of 6.26, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[1-[2-[[7-cyclopropyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]carbamoyl]-3-methoxyphenyl]propan-2-yloxy]-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyrimidin-6-yl]-4-fluoropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 154655083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).