3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide

C27H26ClN7O3 — CID 134435093

IUPAC3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(NC(=O)c4ncccc4Cl)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H26ClN7O3/c1-27(2,37)16-38-20-10-21(25-18(11-29)13-32-35(25)15-20)17-5-6-23(31-12-17)34-9-7-19(14-34)33-26(36)24-22(28)4-3-8-30-24/h3-6,8,10,12-13,15,19,37H,7,9,14,16H2,1-2H3,(H,33,36)
InChIKeyDMCFGXJSWHTPRN-UHFFFAOYSA-N
MW532.00 g/mol
LogP3.47
Rot. Bonds7

About 3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide

3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 134435093) has the molecular formula C27H26ClN7O3 and a molecular weight of 532.00 g/mol. Its IUPAC name is 3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID134435093
Molecular FormulaC27H26ClN7O3
Molecular Weight532.00 g/mol
Exact Mass531.18
IUPAC Name3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(NC(=O)c4ncccc4Cl)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H26ClN7O3/c1-27(2,37)16-38-20-10-21(25-18(11-29)13-32-35(25)15-20)17-5-6-23(31-12-17)34-9-7-19(14-34)33-26(36)24-22(28)4-3-8-30-24/h3-6,8,10,12-13,15,19,37H,7,9,14,16H2,1-2H3,(H,33,36)
InChIKeyDMCFGXJSWHTPRN-UHFFFAOYSA-N
XLogP3.47
TPSA128.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.00
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide (CID 134435093) is 3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide is CC(C)(O)COc1cc(-c2ccc(N3CCC(NC(=O)c4ncccc4Cl)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is DMCFGXJSWHTPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN7O3/c1-27(2,37)16-38-20-10-21(25-18(11-29)13-32-35(25)15-20)17-5-6-23(31-12-17)34-9-7-19(14-34)33-26(36)24-22(28)4-3-8-30-24/h3-6,8,10,12-13,15,19,37H,7,9,14,16H2,1-2H3,(H,33,36).
What are the key properties of 3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 532.00 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134435093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).