5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

C25H23F2N5O3 — CID 72944599

IUPAC5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)c2ccc(F)cc12
InChIInChI=1S/C25H23F2N5O3/c26-15-6-7-17-16(10-15)22(23(28)34)30-31(17)12-21(33)32-18-8-13(18)9-19(32)24(35)29-20-11-25(20,27)14-4-2-1-3-5-14/h1-7,10,13,18-20H,8-9,11-12H2,(H2,28,34)(H,29,35)/t13-,18-,19+,20-,25-/m1/s1
InChIKeyHPYWMOGYCYXTQI-WGSUTQFOSA-N
MW479.49 g/mol
LogP2.02
Rot. Bonds6

About 5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide

5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 72944599) has the molecular formula C25H23F2N5O3 and a molecular weight of 479.49 g/mol. Its IUPAC name is 5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
PubChem CID72944599
Molecular FormulaC25H23F2N5O3
Molecular Weight479.49 g/mol
Exact Mass479.18
IUPAC Name5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)c2ccc(F)cc12
InChIInChI=1S/C25H23F2N5O3/c26-15-6-7-17-16(10-15)22(23(28)34)30-31(17)12-21(33)32-18-8-13(18)9-19(32)24(35)29-20-11-25(20,27)14-4-2-1-3-5-14/h1-7,10,13,18-20H,8-9,11-12H2,(H2,28,34)(H,29,35)/t13-,18-,19+,20-,25-/m1/s1
InChIKeyHPYWMOGYCYXTQI-WGSUTQFOSA-N
XLogP2.02
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.49
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide (CID 72944599) is 5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is HPYWMOGYCYXTQI-WGSUTQFOSA-N. The full InChI is InChI=1S/C25H23F2N5O3/c26-15-6-7-17-16(10-15)22(23(28)34)30-31(17)12-21(33)32-18-8-13(18)9-19(32)24(35)29-20-11-25(20,27)14-4-2-1-3-5-14/h1-7,10,13,18-20H,8-9,11-12H2,(H2,28,34)(H,29,35)/t13-,18-,19+,20-,25-/m1/s1.
What are the key properties of 5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide?
5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 479.49 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 72944599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).