4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide

C33H32ClFN6O2 — CID 156829312

IUPAC4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide
SMILESCc1c(-c2cc3ccc(-c4ccc(C(N)=O)cc4Cl)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C33H32ClFN6O2/c1-18-28-9-7-23(33(43)39-16-24(35)13-25(36)17-39)15-41(28)38-31(18)30-12-21-5-4-20(11-29(21)40(30)14-19-2-3-19)26-8-6-22(32(37)42)10-27(26)34/h4-12,15,19,24-25H,2-3,13-14,16-17,36H2,1H3,(H2,37,42)/t24-,25-/m1/s1
InChIKeyBFASKTKXGSFMEN-JWQCQUIFSA-N
MW599.11 g/mol
LogP5.61
Rot. Bonds6

About 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide

4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide (PubChem CID 156829312) has the molecular formula C33H32ClFN6O2 and a molecular weight of 599.11 g/mol. Its IUPAC name is 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide
PubChem CID156829312
Molecular FormulaC33H32ClFN6O2
Molecular Weight599.11 g/mol
Exact Mass598.23
IUPAC Name4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide
SMILESCc1c(-c2cc3ccc(-c4ccc(C(N)=O)cc4Cl)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C33H32ClFN6O2/c1-18-28-9-7-23(33(43)39-16-24(35)13-25(36)17-39)15-41(28)38-31(18)30-12-21-5-4-20(11-29(21)40(30)14-19-2-3-19)26-8-6-22(32(37)42)10-27(26)34/h4-12,15,19,24-25H,2-3,13-14,16-17,36H2,1H3,(H2,37,42)/t24-,25-/m1/s1
InChIKeyBFASKTKXGSFMEN-JWQCQUIFSA-N
XLogP5.61
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.11
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide with MolForge

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Related Compounds

Factor D inhibitor 6
CID 68283608
2-tert-butyl-1'-(3-chloro-1H-indole-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967950
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-(8-methyl-9-oxo-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-2-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576220
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)-2-cyanophenyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576221
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576298
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-chloro-6-fluoro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 66576451
1-[2-[(1R,3S,5R)-3-[[(1S)-1-(3-chloro-2-fluorophenyl)ethyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
CID 71009743
N-[2-fluoro-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylcarbamoyl]phenyl]-6-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 71283371
1H-Indole-3-carboxamide, 5-chloro-N-[4-[5-methyl-4-(1-oxobutyl)-1H-pyrazol-1-yl]-1-piperidinyl]-1-[2-(4-methyl-1-piperazinyl)-2-oxoethyl]-
CID 73603967
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)cyclohexyl]-5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carboxamide
CID 74220534
1-(4-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-5-propylpyrazole-4-carboxamide
CID 44534463
5-(2-chlorophenyl)-N-[4-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclohexyl]-1-phenylpyrazole-4-carboxamide
CID 44534613

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide?
The IUPAC name of 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide (CID 156829312) is 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide.
What is the SMILES notation for 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide?
The canonical SMILES for 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide is Cc1c(-c2cc3ccc(-c4ccc(C(N)=O)cc4Cl)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.
What is the InChIKey of 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide?
The InChIKey is BFASKTKXGSFMEN-JWQCQUIFSA-N. The full InChI is InChI=1S/C33H32ClFN6O2/c1-18-28-9-7-23(33(43)39-16-24(35)13-25(36)17-39)15-41(28)38-31(18)30-12-21-5-4-20(11-29(21)40(30)14-19-2-3-19)26-8-6-22(32(37)42)10-27(26)34/h4-12,15,19,24-25H,2-3,13-14,16-17,36H2,1H3,(H2,37,42)/t24-,25-/m1/s1.
What are the key properties of 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide?
4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide has a molecular weight of 599.11 g/mol, XLogP of 5.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]-3-chlorobenzamide is sourced from PubChem (CID 156829312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).