(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

C25H24FN5O3 — CID 118073497

IUPAC(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@@H]2C[C@H]2c2ccccc2F)c2ncccc12
InChIInChI=1S/C25H24FN5O3/c1-13(32)23-16-6-4-8-27-24(16)30(29-23)12-22(33)31-20-9-14(20)10-21(31)25(34)28-19-11-17(19)15-5-2-3-7-18(15)26/h2-8,14,17,19-21H,9-12H2,1H3,(H,28,34)/t14-,17+,19-,20-,21+/m1/s1
InChIKeyRQPZCVOEJLKTMJ-FHBRLQHDSA-N
MW461.50 g/mol
LogP2.43
Rot. Bonds6

About (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide

(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 118073497) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID118073497
Molecular FormulaC25H24FN5O3
Molecular Weight461.50 g/mol
Exact Mass461.19
IUPAC Name(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@@H]2C[C@H]2c2ccccc2F)c2ncccc12
InChIInChI=1S/C25H24FN5O3/c1-13(32)23-16-6-4-8-27-24(16)30(29-23)12-22(33)31-20-9-14(20)10-21(31)25(34)28-19-11-17(19)15-5-2-3-7-18(15)26/h2-8,14,17,19-21H,9-12H2,1H3,(H,28,34)/t14-,17+,19-,20-,21+/m1/s1
InChIKeyRQPZCVOEJLKTMJ-FHBRLQHDSA-N
XLogP2.43
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 118073497) is (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is CC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@@H]2C[C@H]2c2ccccc2F)c2ncccc12.
What is the InChIKey of (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is RQPZCVOEJLKTMJ-FHBRLQHDSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-13(32)23-16-6-4-8-27-24(16)30(29-23)12-22(33)31-20-9-14(20)10-21(31)25(34)28-19-11-17(19)15-5-2-3-7-18(15)26/h2-8,14,17,19-21H,9-12H2,1H3,(H,28,34)/t14-,17+,19-,20-,21+/m1/s1.
What are the key properties of (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 118073497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).