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

C25H24FN5O3 — CID 72943225

IUPAC(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2R)-2-fluoro-2-phenylcyclopropyl]-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@@]2(F)c2ccccc2)c2ncccc12
InChIInChI=1S/C25H24FN5O3/c1-14(32)22-17-8-5-9-27-23(17)30(29-22)13-21(33)31-18-10-15(18)11-19(31)24(34)28-20-12-25(20,26)16-6-3-2-4-7-16/h2-9,15,18-20H,10-13H2,1H3,(H,28,34)/t15-,18-,19+,20-,25-/m1/s1
InChIKeyDFKWZGIUBHZQJS-LBRQCZJCSA-N
MW461.50 g/mol
LogP2.38
Rot. Bonds6

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

(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2R)-2-fluoro-2-phenylcyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 72943225) 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,2R)-2-fluoro-2-phenylcyclopropyl]-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,2R)-2-fluoro-2-phenylcyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID72943225
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,2R)-2-fluoro-2-phenylcyclopropyl]-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@@]2(F)c2ccccc2)c2ncccc12
InChIInChI=1S/C25H24FN5O3/c1-14(32)22-17-8-5-9-27-23(17)30(29-22)13-21(33)31-18-10-15(18)11-19(31)24(34)28-20-12-25(20,26)16-6-3-2-4-7-16/h2-9,15,18-20H,10-13H2,1H3,(H,28,34)/t15-,18-,19+,20-,25-/m1/s1
InChIKeyDFKWZGIUBHZQJS-LBRQCZJCSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2R)-2-fluoro-2-phenylcyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide with MolForge

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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,2R)-2-fluoro-2-phenylcyclopropyl]-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,2R)-2-fluoro-2-phenylcyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 72943225) is (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2R)-2-fluoro-2-phenylcyclopropyl]-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,2R)-2-fluoro-2-phenylcyclopropyl]-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,2R)-2-fluoro-2-phenylcyclopropyl]-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@@]2(F)c2ccccc2)c2ncccc12.
What is the InChIKey of (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2R)-2-fluoro-2-phenylcyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is DFKWZGIUBHZQJS-LBRQCZJCSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-14(32)22-17-8-5-9-27-23(17)30(29-22)13-21(33)31-18-10-15(18)11-19(31)24(34)28-20-12-25(20,26)16-6-3-2-4-7-16/h2-9,15,18-20H,10-13H2,1H3,(H,28,34)/t15-,18-,19+,20-,25-/m1/s1.
What are the key properties of (1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2R)-2-fluoro-2-phenylcyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(1R,3S,5R)-2-[2-(3-acetylpyrazolo[5,4-b]pyridin-1-yl)acetyl]-N-[(1R,2R)-2-fluoro-2-phenylcyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 461.50 g/mol, XLogP of 2.38, 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,2R)-2-fluoro-2-phenylcyclopropyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 72943225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).