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

C24H23FN6O3 — CID 72944907

IUPAC1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]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)N[C@@H]2C[C@@]2(F)c2ccccc2)c2cnccc12
InChIInChI=1S/C24H23FN6O3/c25-24(14-4-2-1-3-5-14)10-19(24)28-23(34)17-9-13-8-16(13)31(17)20(32)12-30-18-11-27-7-6-15(18)21(29-30)22(26)33/h1-7,11,13,16-17,19H,8-10,12H2,(H2,26,33)(H,28,34)/t13-,16-,17+,19-,24-/m1/s1
InChIKeyYSHYEVNFHXZBHT-RYHISXGPSA-N
MW462.49 g/mol
LogP1.27
Rot. Bonds6

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

1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 72944907) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is 1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]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-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID72944907
Molecular FormulaC24H23FN6O3
Molecular Weight462.49 g/mol
Exact Mass462.18
IUPAC Name1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]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)N[C@@H]2C[C@@]2(F)c2ccccc2)c2cnccc12
InChIInChI=1S/C24H23FN6O3/c25-24(14-4-2-1-3-5-14)10-19(24)28-23(34)17-9-13-8-16(13)31(17)20(32)12-30-18-11-27-7-6-15(18)21(29-30)22(26)33/h1-7,11,13,16-17,19H,8-10,12H2,(H2,26,33)(H,28,34)/t13-,16-,17+,19-,24-/m1/s1
InChIKeyYSHYEVNFHXZBHT-RYHISXGPSA-N
XLogP1.27
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]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

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CID 15958784
CID 15958784
CID 15958785
CID 15958785
CID 15958786
CID 15958786
CID 15958907
CID 15958907
CID 15958908
CID 15958908
CID 15958910
CID 15958910
CID 15958913
CID 15958913
CID 15958914
CID 15958914
CID 21252903
CID 21252903
CID 71283495
CID 71283495

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]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-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide (CID 72944907) is 1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]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-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]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-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]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)N[C@@H]2C[C@@]2(F)c2ccccc2)c2cnccc12.
What is the InChIKey of 1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is YSHYEVNFHXZBHT-RYHISXGPSA-N. The full InChI is InChI=1S/C24H23FN6O3/c25-24(14-4-2-1-3-5-14)10-19(24)28-23(34)17-9-13-8-16(13)31(17)20(32)12-30-18-11-27-7-6-15(18)21(29-30)22(26)33/h1-7,11,13,16-17,19H,8-10,12H2,(H2,26,33)(H,28,34)/t13-,16-,17+,19-,24-/m1/s1.
What are the key properties of 1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide?
1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1R,3S,5R)-3-[[(1R,2R)-2-fluoro-2-phenylcyclopropyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]pyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 72944907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).