7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide

C24H31ClF2N4O2 — CID 143855399

IUPAC7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1nn(CC2CCC(F)(F)CC2)c2c(Cl)cccc12)C(=O)NC1CC1
InChIInChI=1S/C24H31ClF2N4O2/c1-23(2,3)20(22(33)28-15-7-8-15)29-21(32)18-16-5-4-6-17(25)19(16)31(30-18)13-14-9-11-24(26,27)12-10-14/h4-6,14-15,20H,7-13H2,1-3H3,(H,28,33)(H,29,32)/t20-/m1/s1
InChIKeyJACSWCQVCGORML-HXUWFJFHSA-N
MW480.99 g/mol
LogP4.94
Rot. Bonds6

About 7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide

7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide (PubChem CID 143855399) has the molecular formula C24H31ClF2N4O2 and a molecular weight of 480.99 g/mol. Its IUPAC name is 7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide
PubChem CID143855399
Molecular FormulaC24H31ClF2N4O2
Molecular Weight480.99 g/mol
Exact Mass480.21
IUPAC Name7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)c1nn(CC2CCC(F)(F)CC2)c2c(Cl)cccc12)C(=O)NC1CC1
InChIInChI=1S/C24H31ClF2N4O2/c1-23(2,3)20(22(33)28-15-7-8-15)29-21(32)18-16-5-4-6-17(25)19(16)31(30-18)13-14-9-11-24(26,27)12-10-14/h4-6,14-15,20H,7-13H2,1-3H3,(H,28,33)(H,29,32)/t20-/m1/s1
InChIKeyJACSWCQVCGORML-HXUWFJFHSA-N
XLogP4.94
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.99
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide?
The IUPAC name of 7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide (CID 143855399) is 7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for 7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide?
The canonical SMILES for 7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide is CC(C)(C)[C@H](NC(=O)c1nn(CC2CCC(F)(F)CC2)c2c(Cl)cccc12)C(=O)NC1CC1.
What is the InChIKey of 7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide?
The InChIKey is JACSWCQVCGORML-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H31ClF2N4O2/c1-23(2,3)20(22(33)28-15-7-8-15)29-21(32)18-16-5-4-6-17(25)19(16)31(30-18)13-14-9-11-24(26,27)12-10-14/h4-6,14-15,20H,7-13H2,1-3H3,(H,28,33)(H,29,32)/t20-/m1/s1.
What are the key properties of 7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide?
7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide has a molecular weight of 480.99 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2S)-1-(cyclopropylamino)-3,3-dimethyl-1-oxobutan-2-yl]-1-[(4,4-difluorocyclohexyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 143855399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).