3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one

C23H31N5O2 — CID 123865756

IUPAC3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C(O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C3CCN(C)CC3)c2c1
InChIInChI=1S/C23H31N5O2/c1-14-9-18(22(29)24-12-19-15(2)11-16(3)26-23(19)30)20-13-25-28(21(20)10-14)17-5-7-27(4)8-6-17/h9-11,13,17,22,24,29H,5-8,12H2,1-4H3,(H,26,30)
InChIKeyAOJAJYJUJRFLJV-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.70
Rot. Bonds5

About 3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one

3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 123865756) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID123865756
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C(O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C3CCN(C)CC3)c2c1
InChIInChI=1S/C23H31N5O2/c1-14-9-18(22(29)24-12-19-15(2)11-16(3)26-23(19)30)20-13-25-28(21(20)10-14)17-5-7-27(4)8-6-17/h9-11,13,17,22,24,29H,5-8,12H2,1-4H3,(H,26,30)
InChIKeyAOJAJYJUJRFLJV-UHFFFAOYSA-N
XLogP2.70
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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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-[[[[4-[[4-[2-(dimethylamino)ethyl-methylamino]cyclohexyl]-ethylamino]-1,5-dimethylindazol-6-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 155062682
3-[[[1-cyclopentyl-6-[4-(2-hydroxyethyl)piperazin-1-yl]indazol-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 139542709
3-[[[[6-[1-[2-(dimethylamino)acetyl]-3,6-dihydro-2H-pyridin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]-hydroxymethyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one
CID 129083280
6-(1-butylpiperidin-4-yl)-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 148760724
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-6-carboxamide
CID 127029640
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(1-piperidin-4-yl-3,6-dihydro-2H-pyridin-4-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 86703436
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[3-(trifluoromethoxy)phenyl]indazole-4-carboxamide
CID 54597151
3-[[[[3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[6-[methyl-(1-methylpiperidin-4-yl)amino]-3-pyridinyl]phenyl]-hydroxymethyl]amino]methyl]-6-methyl-4-propyl-1H-pyridin-2-one
CID 71465213
(3S)-3-acetamido-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 97003239
1-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]urea
CID 95975932
3-[[(1-cyclopentylindazol-4-yl)methylamino]methyl]-6-methyl-4-[(oxan-4-ylmethylamino)methyl]-1H-pyridin-2-one
CID 129083251

Frequently Asked Questions

What is the IUPAC name of 3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one (CID 123865756) is 3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C(O)NCc2c(C)cc(C)[nH]c2=O)c2cnn(C3CCN(C)CC3)c2c1.
What is the InChIKey of 3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is AOJAJYJUJRFLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-14-9-18(22(29)24-12-19-15(2)11-16(3)26-23(19)30)20-13-25-28(21(20)10-14)17-5-7-27(4)8-6-17/h9-11,13,17,22,24,29H,5-8,12H2,1-4H3,(H,26,30).
What are the key properties of 3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 409.53 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[hydroxy-[6-methyl-1-(1-methylpiperidin-4-yl)indazol-4-yl]methyl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 123865756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).