5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide

C26H27N5O3 — CID 147971835

IUPAC5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
SMILESCc1cccc(C2(Cn3cc(O)c(=O)c(C(=O)NCc4ccc5[nH]ncc5c4)n3)CCCC2)c1
InChIInChI=1S/C26H27N5O3/c1-17-5-4-6-20(11-17)26(9-2-3-10-26)16-31-15-22(32)24(33)23(30-31)25(34)27-13-18-7-8-21-19(12-18)14-28-29-21/h4-8,11-12,14-15,32H,2-3,9-10,13,16H2,1H3,(H,27,34)(H,28,29)
InChIKeyIRMLWOCSGVCKOK-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.58
Rot. Bonds6

About 5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide

5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide (PubChem CID 147971835) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
PubChem CID147971835
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide
SMILESCc1cccc(C2(Cn3cc(O)c(=O)c(C(=O)NCc4ccc5[nH]ncc5c4)n3)CCCC2)c1
InChIInChI=1S/C26H27N5O3/c1-17-5-4-6-20(11-17)26(9-2-3-10-26)16-31-15-22(32)24(33)23(30-31)25(34)27-13-18-7-8-21-19(12-18)14-28-29-21/h4-8,11-12,14-15,32H,2-3,9-10,13,16H2,1H3,(H,27,34)(H,28,29)
InChIKeyIRMLWOCSGVCKOK-UHFFFAOYSA-N
XLogP3.58
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-N-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-4-oxo-1-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyridazine-3-carboxamide
CID 123409495
3-acetyl-5-hydroxy-1-[[1-[3-methyl-5-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyridazin-4-one;1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-5-hydroxy-4-oxopyridazine-3-carboxylic acid;5-hydroxy-N-[(3-methoxyphenyl)methyl]-4-oxo-1-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pyridazine-3-carboxamide;5-hydroxy-N-methyl-4-oxo-1-[(1-phenylcyclopentyl)methyl]pyridazine-3-carboxamide
CID 159823742
N-(1H-indazol-5-ylmethyl)propanamide
CID 165111571
N-[[3-[[(3S)-3-(1H-indazol-5-ylmethyl)piperidin-1-yl]methyl]phenyl]methyl]acetamide
CID 59159183
N-[(4-tert-butylphenyl)methyl]-1H-indazole-5-carboxamide
CID 22933798
N-(1H-indazol-5-ylmethyl)-8-(methyldisulfanyl)quinoline-5-carboxamide
CID 74762755
tert-butyl N-(1H-indazol-5-ylmethyl)carbamate
CID 59462463
1-hydroxy-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 110907173
N-(3,4-dimethylphenyl)-1-[2-(1H-indazol-5-ylmethylamino)-2-oxoethyl]-1,2,4-triazole-3-carboxamide
CID 162657007
5-[(2R)-2-(1H-indazole-5-carbonylamino)butanoyl]-N-[(3-methylphenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 130194040
N-(2,2-dimethylcyclopentyl)-2-(1H-indazol-5-yl)acetamide
CID 119037007
1-(3-methylphenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 56818493

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide (CID 147971835) is 5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide is Cc1cccc(C2(Cn3cc(O)c(=O)c(C(=O)NCc4ccc5[nH]ncc5c4)n3)CCCC2)c1.
What is the InChIKey of 5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide?
The InChIKey is IRMLWOCSGVCKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-17-5-4-6-20(11-17)26(9-2-3-10-26)16-31-15-22(32)24(33)23(30-31)25(34)27-13-18-7-8-21-19(12-18)14-28-29-21/h4-8,11-12,14-15,32H,2-3,9-10,13,16H2,1H3,(H,27,34)(H,28,29).
What are the key properties of 5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide?
5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.58, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-(1H-indazol-5-ylmethyl)-1-[[1-(3-methylphenyl)cyclopentyl]methyl]-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 147971835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).