N-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C39H36F2N10O3 — CID 167762783

IUPACN-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cn(CC5CCN(C(=O)c6ccc(OCc7cn8cccc(C)c8n7)cc6)CC5(F)F)nn4)cc3)c2n1
InChIInChI=1S/C39H36F2N10O3/c1-24-5-4-15-48-20-31(44-35(24)48)22-54-32-12-8-28(9-13-32)38(53)49-16-14-29(39(40,41)23-49)19-50-21-34(46-47-50)27-6-10-30(11-7-27)45-37(52)33-18-42-51-26(3)17-25(2)43-36(33)51/h4-13,15,17-18,20-21,29H,14,16,19,22-23H2,1-3H3,(H,45,52)
InChIKeyWIOSHBXYDHWLFY-UHFFFAOYSA-N
MW730.78 g/mol
LogP6.19
Rot. Bonds9

About N-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 167762783) has the molecular formula C39H36F2N10O3 and a molecular weight of 730.78 g/mol. Its IUPAC name is N-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID167762783
Molecular FormulaC39H36F2N10O3
Molecular Weight730.78 g/mol
Exact Mass730.29
IUPAC NameN-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cn(CC5CCN(C(=O)c6ccc(OCc7cn8cccc(C)c8n7)cc6)CC5(F)F)nn4)cc3)c2n1
InChIInChI=1S/C39H36F2N10O3/c1-24-5-4-15-48-20-31(44-35(24)48)22-54-32-12-8-28(9-13-32)38(53)49-16-14-29(39(40,41)23-49)19-50-21-34(46-47-50)27-6-10-30(11-7-27)45-37(52)33-18-42-51-26(3)17-25(2)43-36(33)51/h4-13,15,17-18,20-21,29H,14,16,19,22-23H2,1-3H3,(H,45,52)
InChIKeyWIOSHBXYDHWLFY-UHFFFAOYSA-N
XLogP6.19
TPSA136.84 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500730.78
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 167762783) is N-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)Nc3ccc(-c4cn(CC5CCN(C(=O)c6ccc(OCc7cn8cccc(C)c8n7)cc6)CC5(F)F)nn4)cc3)c2n1.
What is the InChIKey of N-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WIOSHBXYDHWLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36F2N10O3/c1-24-5-4-15-48-20-31(44-35(24)48)22-54-32-12-8-28(9-13-32)38(53)49-16-14-29(39(40,41)23-49)19-50-21-34(46-47-50)27-6-10-30(11-7-27)45-37(52)33-18-42-51-26(3)17-25(2)43-36(33)51/h4-13,15,17-18,20-21,29H,14,16,19,22-23H2,1-3H3,(H,45,52).
What are the key properties of N-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 730.78 g/mol, XLogP of 6.19, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[[3,3-difluoro-1-[4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]methyl]triazol-4-yl]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 167762783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).