1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

C26H21ClFN7O3 — CID 71009516

IUPAC1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(-c3ncccc3Cl)c2F)c2cnccc12
InChIInChI=1S/C26H21ClFN7O3/c27-16-4-2-7-31-23(16)15-3-1-5-17(22(15)28)32-26(38)19-10-13-9-18(13)35(19)21(36)12-34-20-11-30-8-6-14(20)24(33-34)25(29)37/h1-8,11,13,18-19H,9-10,12H2,(H2,29,37)(H,32,38)/t13-,18-,19+/m1/s1
InChIKeyHVVQXQMVVKKIIJ-ZNOIYHFQSA-N
MW533.95 g/mol
LogP3.01
Rot. Bonds6

About 1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 71009516) has the molecular formula C26H21ClFN7O3 and a molecular weight of 533.95 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID71009516
Molecular FormulaC26H21ClFN7O3
Molecular Weight533.95 g/mol
Exact Mass533.14
IUPAC Name1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(-c3ncccc3Cl)c2F)c2cnccc12
InChIInChI=1S/C26H21ClFN7O3/c27-16-4-2-7-31-23(16)15-3-1-5-17(22(15)28)32-26(38)19-10-13-9-18(13)35(19)21(36)12-34-20-11-30-8-6-14(20)24(33-34)25(29)37/h1-8,11,13,18-19H,9-10,12H2,(H2,29,37)(H,32,38)/t13-,18-,19+/m1/s1
InChIKeyHVVQXQMVVKKIIJ-ZNOIYHFQSA-N
XLogP3.01
TPSA136.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.95
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Related Compounds

Factor D inhibitor 6
CID 68283608
3-(8-(2-Chloro-5-fluorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido[2,3-d]pyridazin-3-yl)-N-cyclopropyl-4-methylbenzamide
CID 52942156
2-tert-butyl-1'-(3-chloro-1H-indole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967949
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
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
2-tert-butyl-1'-(3-chloro-1H-pyrrolo[3,2-b]pyridine-6-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292555
[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)methanone
CID 118879403
2-(3-cyclopropylpyrazol-1-yl)-N-[5-(7-fluoro-1-propan-2-ylpyrrolo[3,2-c]pyridine-3-carbonyl)-3-pyridinyl]acetamide
CID 121231246
US20230286958, Example 60
CID 162520097
US20230286958, Example 58
CID 166898766
US20230286958, Example 118
CID 168679563
US20230286958, Example 242
CID 168679601

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 71009516) is 1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(-c3ncccc3Cl)c2F)c2cnccc12.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is HVVQXQMVVKKIIJ-ZNOIYHFQSA-N. The full InChI is InChI=1S/C26H21ClFN7O3/c27-16-4-2-7-31-23(16)15-3-1-5-17(22(15)28)32-26(38)19-10-13-9-18(13)35(19)21(36)12-34-20-11-30-8-6-14(20)24(33-34)25(29)37/h1-8,11,13,18-19H,9-10,12H2,(H2,29,37)(H,32,38)/t13-,18-,19+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 533.95 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5R)-3-[[3-(3-chloro-2-pyridinyl)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 71009516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).