4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide

C24H21F3N6O3 — CID 171453787

IUPAC4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESN#C[C@]1(C2CC(C(N)=O)Cc3c2c(-c2cncc(OC(F)F)c2)nn3-c2ccc(F)cn2)CCOC1
InChIInChI=1S/C24H21F3N6O3/c25-15-1-2-19(31-9-15)33-18-7-13(22(29)34)6-17(24(11-28)3-4-35-12-24)20(18)21(32-33)14-5-16(10-30-8-14)36-23(26)27/h1-2,5,8-10,13,17,23H,3-4,6-7,12H2,(H2,29,34)/t13?,17?,24-/m1/s1
InChIKeyVYNQMFRVMLALDV-REQNVRRUSA-N
MW498.47 g/mol
LogP3.13
Rot. Bonds6

About 4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide

4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide (PubChem CID 171453787) has the molecular formula C24H21F3N6O3 and a molecular weight of 498.47 g/mol. Its IUPAC name is 4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide
PubChem CID171453787
Molecular FormulaC24H21F3N6O3
Molecular Weight498.47 g/mol
Exact Mass498.16
IUPAC Name4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESN#C[C@]1(C2CC(C(N)=O)Cc3c2c(-c2cncc(OC(F)F)c2)nn3-c2ccc(F)cn2)CCOC1
InChIInChI=1S/C24H21F3N6O3/c25-15-1-2-19(31-9-15)33-18-7-13(22(29)34)6-17(24(11-28)3-4-35-12-24)20(18)21(32-33)14-5-16(10-30-8-14)36-23(26)27/h1-2,5,8-10,13,17,23H,3-4,6-7,12H2,(H2,29,34)/t13?,17?,24-/m1/s1
InChIKeyVYNQMFRVMLALDV-REQNVRRUSA-N
XLogP3.13
TPSA128.94 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

8,8-difluoro-N-[5-[2-(1-methylpyrazol-4-yl)pyridin-4-yl]oxypyridin-2-yl]-1-oxo-2-azaspiro[4.5]decane-2-carboxamide
CID 146268025
US10144734, Example 477
CID 134434793
US10144734, Example 522
CID 134434808
US10144734, Example 616
CID 134434860
US10144734, Example 586
CID 134434872
US10144734, Example 234
CID 134435009
US10144734, Example 227
CID 134435015
US10144734, Example 300
CID 134435125
US10144734, Example 304
CID 134435333
US10144734, Example 493
CID 134435352
US10144734, Example 642
CID 134435518
US10144734, Example 301
CID 134435956

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
The IUPAC name of 4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide (CID 171453787) is 4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide.
What is the SMILES notation for 4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
The canonical SMILES for 4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide is N#C[C@]1(C2CC(C(N)=O)Cc3c2c(-c2cncc(OC(F)F)c2)nn3-c2ccc(F)cn2)CCOC1.
What is the InChIKey of 4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
The InChIKey is VYNQMFRVMLALDV-REQNVRRUSA-N. The full InChI is InChI=1S/C24H21F3N6O3/c25-15-1-2-19(31-9-15)33-18-7-13(22(29)34)6-17(24(11-28)3-4-35-12-24)20(18)21(32-33)14-5-16(10-30-8-14)36-23(26)27/h1-2,5,8-10,13,17,23H,3-4,6-7,12H2,(H2,29,34)/t13?,17?,24-/m1/s1.
What are the key properties of 4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide?
4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide has a molecular weight of 498.47 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-cyanooxolan-3-yl]-3-[5-(difluoromethoxy)-3-pyridinyl]-1-(5-fluoro-2-pyridinyl)-4,5,6,7-tetrahydroindazole-6-carboxamide is sourced from PubChem (CID 171453787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).