N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide

C27H30FN5O — CID 167099537

IUPACN-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide
SMILESCc1ccc2nc(C(C)(C)F)cc(NC3CCC(NC(=O)c4cccc5cn[nH]c45)CC3)c2c1
InChIInChI=1S/C27H30FN5O/c1-16-7-12-22-21(13-16)23(14-24(32-22)27(2,3)28)30-18-8-10-19(11-9-18)31-26(34)20-6-4-5-17-15-29-33-25(17)20/h4-7,12-15,18-19H,8-11H2,1-3H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyCJUHJMLRTDGCRV-UHFFFAOYSA-N
MW459.57 g/mol
LogP5.78
Rot. Bonds5

About N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide

N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide (PubChem CID 167099537) has the molecular formula C27H30FN5O and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide
PubChem CID167099537
Molecular FormulaC27H30FN5O
Molecular Weight459.57 g/mol
Exact Mass459.24
IUPAC NameN-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide
SMILESCc1ccc2nc(C(C)(C)F)cc(NC3CCC(NC(=O)c4cccc5cn[nH]c45)CC3)c2c1
InChIInChI=1S/C27H30FN5O/c1-16-7-12-22-21(13-16)23(14-24(32-22)27(2,3)28)30-18-8-10-19(11-9-18)31-26(34)20-6-4-5-17-15-29-33-25(17)20/h4-7,12-15,18-19H,8-11H2,1-3H3,(H,29,33)(H,30,32)(H,31,34)
InChIKeyCJUHJMLRTDGCRV-UHFFFAOYSA-N
XLogP5.78
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.57
LogP ≤ 55.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide with MolForge

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Related Compounds

N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]-methylamino]cyclohexyl]-1H-indazole-7-carboxamide
CID 167099423
N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 167099245
2-(methylamino)-N-[(1R,3S)-3-[[6-methyl-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163229761
4-(1,3-dioxoisoindol-2-yl)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]butanamide
CID 167099517
N-[4-[[2-(2-fluoropropan-2-yl)quinolin-4-yl]amino]cyclohexyl]-1-benzofuran-3-carboxamide
CID 167099214
N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide
CID 167099451
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-(methylamino)benzamide
CID 163266948
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide
CID 164558388
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-(3-methylphenyl)pyridine-4-carboxamide
CID 164787028
4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide
CID 163267355
4-(6,7-dihydroquinolin-2-ylmethoxy)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]benzamide
CID 167099148
N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 167099552

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide?
The IUPAC name of N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide (CID 167099537) is N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide.
What is the SMILES notation for N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide?
The canonical SMILES for N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide is Cc1ccc2nc(C(C)(C)F)cc(NC3CCC(NC(=O)c4cccc5cn[nH]c45)CC3)c2c1.
What is the InChIKey of N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide?
The InChIKey is CJUHJMLRTDGCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN5O/c1-16-7-12-22-21(13-16)23(14-24(32-22)27(2,3)28)30-18-8-10-19(11-9-18)31-26(34)20-6-4-5-17-15-29-33-25(17)20/h4-7,12-15,18-19H,8-11H2,1-3H3,(H,29,33)(H,30,32)(H,31,34).
What are the key properties of N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide?
N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 5.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide is sourced from PubChem (CID 167099537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).