1-[2-[(1R,3S,5R)-3-[[6-(2,6-difluorophenyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

C26H21F2N7O3 — CID 71009307

IUPAC1-[2-[(1R,3S,5R)-3-[[6-(2,6-difluorophenyl)-2-pyridinyl]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(-c3c(F)cccc3F)n2)c2cnccc12
InChIInChI=1S/C26H21F2N7O3/c27-15-3-1-4-16(28)23(15)17-5-2-6-21(31-17)32-26(38)19-10-13-9-18(13)35(19)22(36)12-34-20-11-30-8-7-14(20)24(33-34)25(29)37/h1-8,11,13,18-19H,9-10,12H2,(H2,29,37)(H,31,32,38)/t13-,18-,19+/m1/s1
InChIKeyBVXCZVQTWCUXLT-ZNOIYHFQSA-N
MW517.50 g/mol
LogP2.50
Rot. Bonds6

About 1-[2-[(1R,3S,5R)-3-[[6-(2,6-difluorophenyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide

1-[2-[(1R,3S,5R)-3-[[6-(2,6-difluorophenyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 71009307) has the molecular formula C26H21F2N7O3 and a molecular weight of 517.50 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[6-(2,6-difluorophenyl)-2-pyridinyl]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-[[6-(2,6-difluorophenyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID71009307
Molecular FormulaC26H21F2N7O3
Molecular Weight517.50 g/mol
Exact Mass517.17
IUPAC Name1-[2-[(1R,3S,5R)-3-[[6-(2,6-difluorophenyl)-2-pyridinyl]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(-c3c(F)cccc3F)n2)c2cnccc12
InChIInChI=1S/C26H21F2N7O3/c27-15-3-1-4-16(28)23(15)17-5-2-6-21(31-17)32-26(38)19-10-13-9-18(13)35(19)22(36)12-34-20-11-30-8-7-14(20)24(33-34)25(29)37/h1-8,11,13,18-19H,9-10,12H2,(H2,29,37)(H,31,32,38)/t13-,18-,19+/m1/s1
InChIKeyBVXCZVQTWCUXLT-ZNOIYHFQSA-N
XLogP2.50
TPSA136.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.50
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-[(1R,3S,5R)-3-[[6-(2,6-difluorophenyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[[6-(2,6-difluorophenyl)-2-pyridinyl]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-[[6-(2,6-difluorophenyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 71009307) is 1-[2-[(1R,3S,5R)-3-[[6-(2,6-difluorophenyl)-2-pyridinyl]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-[[6-(2,6-difluorophenyl)-2-pyridinyl]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-[[6-(2,6-difluorophenyl)-2-pyridinyl]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(-c3c(F)cccc3F)n2)c2cnccc12.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[6-(2,6-difluorophenyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is BVXCZVQTWCUXLT-ZNOIYHFQSA-N. The full InChI is InChI=1S/C26H21F2N7O3/c27-15-3-1-4-16(28)23(15)17-5-2-6-21(31-17)32-26(38)19-10-13-9-18(13)35(19)22(36)12-34-20-11-30-8-7-14(20)24(33-34)25(29)37/h1-8,11,13,18-19H,9-10,12H2,(H2,29,37)(H,31,32,38)/t13-,18-,19+/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[6-(2,6-difluorophenyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[[6-(2,6-difluorophenyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 517.50 g/mol, XLogP of 2.50, 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-[[6-(2,6-difluorophenyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 71009307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).