2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide

C20H20F2N4O2 — CID 171772015

IUPAC2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide
SMILESO=C(Nc1cc[nH]c(=O)c1)c1c2ccccc2nn1CC1CCC(F)(F)CC1
InChIInChI=1S/C20H20F2N4O2/c21-20(22)8-5-13(6-9-20)12-26-18(15-3-1-2-4-16(15)25-26)19(28)24-14-7-10-23-17(27)11-14/h1-4,7,10-11,13H,5-6,8-9,12H2,(H2,23,24,27,28)
InChIKeySGGMCTCKKPBZII-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.80
Rot. Bonds4

About 2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide

2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide (PubChem CID 171772015) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide.

Molecular Properties

Compound Name2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide
PubChem CID171772015
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide
SMILESO=C(Nc1cc[nH]c(=O)c1)c1c2ccccc2nn1CC1CCC(F)(F)CC1
InChIInChI=1S/C20H20F2N4O2/c21-20(22)8-5-13(6-9-20)12-26-18(15-3-1-2-4-16(15)25-26)19(28)24-14-7-10-23-17(27)11-14/h1-4,7,10-11,13H,5-6,8-9,12H2,(H2,23,24,27,28)
InChIKeySGGMCTCKKPBZII-UHFFFAOYSA-N
XLogP3.80
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide?
The IUPAC name of 2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide (CID 171772015) is 2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide.
What is the SMILES notation for 2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide?
The canonical SMILES for 2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide is O=C(Nc1cc[nH]c(=O)c1)c1c2ccccc2nn1CC1CCC(F)(F)CC1.
What is the InChIKey of 2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide?
The InChIKey is SGGMCTCKKPBZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c21-20(22)8-5-13(6-9-20)12-26-18(15-3-1-2-4-16(15)25-26)19(28)24-14-7-10-23-17(27)11-14/h1-4,7,10-11,13H,5-6,8-9,12H2,(H2,23,24,27,28).
What are the key properties of 2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide?
2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide has a molecular weight of 386.40 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluorocyclohexyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)indazole-3-carboxamide is sourced from PubChem (CID 171772015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).