1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C27H33N5O — CID 45165418

IUPAC1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccncc2)c2c1CCC(NCC1(c3ccccc3)CCCC1)C2
InChIInChI=1S/C27H33N5O/c1-32-24-10-9-22(30-19-27(13-5-6-14-27)21-7-3-2-4-8-21)17-23(24)25(31-32)26(33)29-18-20-11-15-28-16-12-20/h2-4,7-8,11-12,15-16,22,30H,5-6,9-10,13-14,17-19H2,1H3,(H,29,33)
InChIKeyUAEWUWYXWCRBPB-UHFFFAOYSA-N
MW443.60 g/mol
LogP3.70
Rot. Bonds7

About 1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45165418) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is 1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45165418
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC Name1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccncc2)c2c1CCC(NCC1(c3ccccc3)CCCC1)C2
InChIInChI=1S/C27H33N5O/c1-32-24-10-9-22(30-19-27(13-5-6-14-27)21-7-3-2-4-8-21)17-23(24)25(31-32)26(33)29-18-20-11-15-28-16-12-20/h2-4,7-8,11-12,15-16,22,30H,5-6,9-10,13-14,17-19H2,1H3,(H,29,33)
InChIKeyUAEWUWYXWCRBPB-UHFFFAOYSA-N
XLogP3.70
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methoxynaphthalen-1-yl)methylamino]-1-methyl-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164567
(4-methylpiperazin-1-yl)-[5-[(1-phenylcyclopentyl)methylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45159141
5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165291
[(5R)-1-ethyl-5-[(1-phenylcyclohexyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 26139421
[1-methyl-5-(2-pyridin-4-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 122684082
N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165457
1-methyl-5-(3-methylbutylamino)-N-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165215
(5S)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26220766
1-methyl-5-[(2-methylphenyl)methylamino]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162368
N-[(2-fluorophenyl)methyl]-5-(3-hydroxypropylamino)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45164628
N-benzyl-5-[(4-methoxyphenyl)methylamino]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162273
N-benzyl-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26223552

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45165418) is 1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is Cn1nc(C(=O)NCc2ccncc2)c2c1CCC(NCC1(c3ccccc3)CCCC1)C2.
What is the InChIKey of 1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is UAEWUWYXWCRBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O/c1-32-24-10-9-22(30-19-27(13-5-6-14-27)21-7-3-2-4-8-21)17-23(24)25(31-32)26(33)29-18-20-11-15-28-16-12-20/h2-4,7-8,11-12,15-16,22,30H,5-6,9-10,13-14,17-19H2,1H3,(H,29,33).
What are the key properties of 1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 443.60 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45165418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).