3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

C27H38N6O2 — CID 139542709

IUPAC3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(CNCc2cc(N3CCN(CCO)CC3)cc3c2cnn3C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C27H38N6O2/c1-19-13-20(2)30-27(35)24(19)17-28-16-21-14-23(32-9-7-31(8-10-32)11-12-34)15-26-25(21)18-29-33(26)22-5-3-4-6-22/h13-15,18,22,28,34H,3-12,16-17H2,1-2H3,(H,30,35)
InChIKeyZSCCRBWYEDLEBJ-UHFFFAOYSA-N
MW478.64 g/mol
LogP2.86
Rot. Bonds8

About 3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 139542709) has the molecular formula C27H38N6O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is 3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID139542709
Molecular FormulaC27H38N6O2
Molecular Weight478.64 g/mol
Exact Mass478.31
IUPAC Name3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(CNCc2cc(N3CCN(CCO)CC3)cc3c2cnn3C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C27H38N6O2/c1-19-13-20(2)30-27(35)24(19)17-28-16-21-14-23(32-9-7-31(8-10-32)11-12-34)15-26-25(21)18-29-33(26)22-5-3-4-6-22/h13-15,18,22,28,34H,3-12,16-17H2,1-2H3,(H,30,35)
InChIKeyZSCCRBWYEDLEBJ-UHFFFAOYSA-N
XLogP2.86
TPSA89.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 148760724
3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one
CID 129083251
3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 123865756
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-6-carboxamide
CID 127029640
3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 134335489
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
3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
CID 123339043
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
2-[4-[4-(ethylaminomethyl)-3-methylphenyl]piperazin-1-yl]ethanol
CID 62135193
4,6-dimethyl-3-[[(7-methyl-1-propan-2-ylindol-4-yl)methylamino]methyl]-1H-pyridin-2-one
CID 123804874
6-[6-[4-[2-[(3,5-dimethyladamantane-1-carbonyl)amino]ethyl]piperazin-1-yl]-3-pyridinyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylindazole-4-carboxamide
CID 139425322

Frequently Asked Questions

What is the IUPAC name of 3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (CID 139542709) is 3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(CNCc2cc(N3CCN(CCO)CC3)cc3c2cnn3C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is ZSCCRBWYEDLEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O2/c1-19-13-20(2)30-27(35)24(19)17-28-16-21-14-23(32-9-7-31(8-10-32)11-12-34)15-26-25(21)18-29-33(26)22-5-3-4-6-22/h13-15,18,22,28,34H,3-12,16-17H2,1-2H3,(H,30,35).
What are the key properties of 3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 478.64 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 139542709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).