N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide

C25H33N5O — CID 167099235

IUPACN-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(Nc3cc(C(C)(C)C)nc4ccccc34)CC2)nn1C
InChIInChI=1S/C25H33N5O/c1-16-14-22(29-30(16)5)24(31)27-18-12-10-17(11-13-18)26-21-15-23(25(2,3)4)28-20-9-7-6-8-19(20)21/h6-9,14-15,17-18H,10-13H2,1-5H3,(H,26,28)(H,27,31)
InChIKeyCTEWYMWSERGSAH-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.73
Rot. Bonds4

About N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide

N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 167099235) has the molecular formula C25H33N5O and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID167099235
Molecular FormulaC25H33N5O
Molecular Weight419.57 g/mol
Exact Mass419.27
IUPAC NameN-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(Nc3cc(C(C)(C)C)nc4ccccc34)CC2)nn1C
InChIInChI=1S/C25H33N5O/c1-16-14-22(29-30(16)5)24(31)27-18-12-10-17(11-13-18)26-21-15-23(25(2,3)4)28-20-9-7-6-8-19(20)21/h6-9,14-15,17-18H,10-13H2,1-5H3,(H,26,28)(H,27,31)
InChIKeyCTEWYMWSERGSAH-UHFFFAOYSA-N
XLogP4.73
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-dimethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohex-3-en-1-yl]pyrazole-3-carboxamide
CID 163267392
N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 167099552
2-fluoro-6-methyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267200
N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide
CID 167099451
2-chloro-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267255
tert-butyl N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]carbamate
CID 163267387
2-ethyl-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267188
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]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 167099145
4-cyano-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163266996
6-methyl-N-[4-[[[2-(trifluoromethyl)quinolin-4-yl]amino]methyl]cyclohexyl]pyridine-2-carboxamide
CID 167031430
cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267053

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide (CID 167099235) is N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCC(Nc3cc(C(C)(C)C)nc4ccccc34)CC2)nn1C.
What is the InChIKey of N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is CTEWYMWSERGSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O/c1-16-14-22(29-30(16)5)24(31)27-18-12-10-17(11-13-18)26-21-15-23(25(2,3)4)28-20-9-7-6-8-19(20)21/h6-9,14-15,17-18H,10-13H2,1-5H3,(H,26,28)(H,27,31).
What are the key properties of N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide?
N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 419.57 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 167099235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).