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1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide

C33H34ClFN8O4 — CID 155548662

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(NC(=O)c4nn(C5CCN(C(=O)NC(C)(C)C)CC5)c5ccc(F)cc45)cc3Cl)cnn2c1
InChIInChI=1S/C33H34ClFN8O4/c1-33(2,3)39-32(46)41-13-11-21(12-14-41)43-28-9-5-19(35)15-23(28)29(40-43)31(45)37-20-6-8-26(25(34)16-20)38-30(44)24-17-36-42-18-22(47-4)7-10-27(24)42/h5-10,15-18,21H,11-14H2,1-4H3,(H,37,45)(H,38,44)(H,39,46)
InChIKeyQRHLGEHZPDSLFJ-UHFFFAOYSA-N
MW661.14 g/mol
LogP6.13
Rot. Bonds6

About 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide

1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide (PubChem CID 155548662) has the molecular formula C33H34ClFN8O4 and a molecular weight of 661.14 g/mol. Its IUPAC name is 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide.

Molecular Properties

Compound Name1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide
PubChem CID155548662
Molecular FormulaC33H34ClFN8O4
Molecular Weight661.14 g/mol
Exact Mass660.24
IUPAC Name1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3ccc(NC(=O)c4nn(C5CCN(C(=O)NC(C)(C)C)CC5)c5ccc(F)cc45)cc3Cl)cnn2c1
InChIInChI=1S/C33H34ClFN8O4/c1-33(2,3)39-32(46)41-13-11-21(12-14-41)43-28-9-5-19(35)15-23(28)29(40-43)31(45)37-20-6-8-26(25(34)16-20)38-30(44)24-17-36-42-18-22(47-4)7-10-27(24)42/h5-10,15-18,21H,11-14H2,1-4H3,(H,37,45)(H,38,44)(H,39,46)
InChIKeyQRHLGEHZPDSLFJ-UHFFFAOYSA-N
XLogP6.13
TPSA134.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.14
LogP ≤ 56.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide?
The IUPAC name of 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide (CID 155548662) is 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide.
What is the SMILES notation for 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide?
The canonical SMILES for 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide is COc1ccc2c(C(=O)Nc3ccc(NC(=O)c4nn(C5CCN(C(=O)NC(C)(C)C)CC5)c5ccc(F)cc45)cc3Cl)cnn2c1.
What is the InChIKey of 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide?
The InChIKey is QRHLGEHZPDSLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClFN8O4/c1-33(2,3)39-32(46)41-13-11-21(12-14-41)43-28-9-5-19(35)15-23(28)29(40-43)31(45)37-20-6-8-26(25(34)16-20)38-30(44)24-17-36-42-18-22(47-4)7-10-27(24)42/h5-10,15-18,21H,11-14H2,1-4H3,(H,37,45)(H,38,44)(H,39,46).
What are the key properties of 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide?
1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide has a molecular weight of 661.14 g/mol, XLogP of 6.13, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-[3-chloro-4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]-5-fluoroindazole-3-carboxamide is sourced from PubChem (CID 155548662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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