N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide

C29H37N7O2 — CID 171684648

IUPACN-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide
SMILESCCCC1CCC(C(=O)N2CCCCC2c2cc(NC(=O)c3[nH]nc4c3CCc3ncccc3-4)n[nH]2)CC1
InChIInChI=1S/C29H37N7O2/c1-2-6-18-9-11-19(12-10-18)29(38)36-16-4-3-8-24(36)23-17-25(33-32-23)31-28(37)27-21-13-14-22-20(7-5-15-30-22)26(21)34-35-27/h5,7,15,17-19,24H,2-4,6,8-14,16H2,1H3,(H,34,35)(H2,31,32,33,37)
InChIKeyJVTUIJCVNCBAES-UHFFFAOYSA-N
MW515.66 g/mol
LogP5.21
Rot. Bonds6

About N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide

N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide (PubChem CID 171684648) has the molecular formula C29H37N7O2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide
PubChem CID171684648
Molecular FormulaC29H37N7O2
Molecular Weight515.66 g/mol
Exact Mass515.30
IUPAC NameN-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide
SMILESCCCC1CCC(C(=O)N2CCCCC2c2cc(NC(=O)c3[nH]nc4c3CCc3ncccc3-4)n[nH]2)CC1
InChIInChI=1S/C29H37N7O2/c1-2-6-18-9-11-19(12-10-18)29(38)36-16-4-3-8-24(36)23-17-25(33-32-23)31-28(37)27-21-13-14-22-20(7-5-15-30-22)26(21)34-35-27/h5,7,15,17-19,24H,2-4,6,8-14,16H2,1H3,(H,34,35)(H2,31,32,33,37)
InChIKeyJVTUIJCVNCBAES-UHFFFAOYSA-N
XLogP5.21
TPSA119.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.66
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide with MolForge

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Related Compounds

2-methyl-3-oxo-N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4H-1,4-benzoxazine-6-carboxamide
CID 171684066
N-[5-[1-(2-methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-propylcyclohexane-1-carboxamide
CID 171683345
cyclohexyl-[(2S)-2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 95838089
tert-butyl 4-[2-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 110269760
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]pyridine-4-carboxamide
CID 171706065
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 71831326
N-[5-[1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-1H-indazole-6-carboxamide
CID 171706048
tert-butyl (2S)-2-[3-[(4,6-difluoro-1H-indole-2-carbonyl)amino]-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 168868203
N-cyclopentyl-5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyrazole-3-carboxamide
CID 110268878
1-ethyl-N-[5-[1-[2-methyl-3-(trifluoromethyl)benzoyl]piperidin-2-yl]-1H-pyrazol-3-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 171681141
N-(4-chlorophenyl)-4,5-dihydro-2H-benzo[g]indazole-3-carboxamide
CID 20953929
1-methyl-N-[5-[1-(1H-pyrrolo[3,2-c]pyridine-4-carbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)pyrrole-3-carboxamide
CID 171705707

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide?
The IUPAC name of N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide (CID 171684648) is N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide.
What is the SMILES notation for N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide?
The canonical SMILES for N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide is CCCC1CCC(C(=O)N2CCCCC2c2cc(NC(=O)c3[nH]nc4c3CCc3ncccc3-4)n[nH]2)CC1.
What is the InChIKey of N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide?
The InChIKey is JVTUIJCVNCBAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O2/c1-2-6-18-9-11-19(12-10-18)29(38)36-16-4-3-8-24(36)23-17-25(33-32-23)31-28(37)27-21-13-14-22-20(7-5-15-30-22)26(21)34-35-27/h5,7,15,17-19,24H,2-4,6,8-14,16H2,1H3,(H,34,35)(H2,31,32,33,37).
What are the key properties of N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide?
N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide has a molecular weight of 515.66 g/mol, XLogP of 5.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(4-propylcyclohexanecarbonyl)piperidin-2-yl]-1H-pyrazol-3-yl]-4,5-dihydro-2H-pyrazolo[3,4-f]quinoline-3-carboxamide is sourced from PubChem (CID 171684648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).