3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one

C27H37N5O2 — CID 129083251

IUPAC3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one
SMILESCc1cc(CNCC2CCOCC2)c(CNCc2cccc3c2cnn3C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C27H37N5O2/c1-19-13-22(16-28-14-20-9-11-34-12-10-20)25(27(33)31-19)17-29-15-21-5-4-8-26-24(21)18-30-32(26)23-6-2-3-7-23/h4-5,8,13,18,20,23,28-29H,2-3,6-7,9-12,14-17H2,1H3,(H,31,33)
InChIKeyPJEIARVEFOAJCV-UHFFFAOYSA-N
MW463.63 g/mol
LogP3.95
Rot. Bonds9

About 3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one

3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one (PubChem CID 129083251) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one
PubChem CID129083251
Molecular FormulaC27H37N5O2
Molecular Weight463.63 g/mol
Exact Mass463.29
IUPAC Name3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one
SMILESCc1cc(CNCC2CCOCC2)c(CNCc2cccc3c2cnn3C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C27H37N5O2/c1-19-13-22(16-28-14-20-9-11-34-12-10-20)25(27(33)31-19)17-29-15-21-5-4-8-26-24(21)18-30-32(26)23-6-2-3-7-23/h4-5,8,13,18,20,23,28-29H,2-3,6-7,9-12,14-17H2,1H3,(H,31,33)
InChIKeyPJEIARVEFOAJCV-UHFFFAOYSA-N
XLogP3.95
TPSA83.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.63
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one with MolForge

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Related Compounds

3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 123339043
3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 139542709
6-chloro-1-cyclopentyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 54597298
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide
CID 54597151
N-[(2,3-dimethoxyphenyl)methyl]-1-(oxan-4-yl)methanamine
CID 62350684
6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 148760724
1-cycloheptyl-N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]indazole-4-carboxamide
CID 155547766
3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 123865756
6-[(2-methylphenyl)methyl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135908672
7-fluoro-3-[[[5-methyl-1-(oxan-4-yl)pyrazol-4-yl]amino]methyl]-1H-quinolin-2-one
CID 167866692
N-[(1-methylindol-2-yl)methyl]-1-(oxan-4-yl)methanamine
CID 141304489
2-methoxy-6-[(oxan-4-ylmethylamino)methyl]phenol
CID 55210136

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one (CID 129083251) is 3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one is Cc1cc(CNCC2CCOCC2)c(CNCc2cccc3c2cnn3C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one?
The InChIKey is PJEIARVEFOAJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O2/c1-19-13-22(16-28-14-20-9-11-34-12-10-20)25(27(33)31-19)17-29-15-21-5-4-8-26-24(21)18-30-32(26)23-6-2-3-7-23/h4-5,8,13,18,20,23,28-29H,2-3,6-7,9-12,14-17H2,1H3,(H,31,33).
What are the key properties of 3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one?
3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one has a molecular weight of 463.63 g/mol, XLogP of 3.95, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 129083251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).