3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one

C25H33N5O3 — CID 123339043

IUPAC3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
SMILESCc1cc(CN2CCOCC2)c(CNC(O)c2cccc3c2cnn3C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C25H33N5O3/c1-17-13-18(16-29-9-11-33-12-10-29)21(25(32)28-17)14-26-24(31)20-7-4-8-23-22(20)15-27-30(23)19-5-2-3-6-19/h4,7-8,13,15,19,24,26,31H,2-3,5-6,9-12,14,16H2,1H3,(H,28,32)
InChIKeyDISXGEUQLHQMCQ-UHFFFAOYSA-N
MW451.57 g/mol
LogP2.76
Rot. Bonds7

About 3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one

3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one (PubChem CID 123339043) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
PubChem CID123339043
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one
SMILESCc1cc(CN2CCOCC2)c(CNC(O)c2cccc3c2cnn3C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C25H33N5O3/c1-17-13-18(16-29-9-11-33-12-10-29)21(25(32)28-17)14-26-24(31)20-7-4-8-23-22(20)15-27-30(23)19-5-2-3-6-19/h4,7-8,13,15,19,24,26,31H,2-3,5-6,9-12,14,16H2,1H3,(H,28,32)
InChIKeyDISXGEUQLHQMCQ-UHFFFAOYSA-N
XLogP2.76
TPSA95.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The IUPAC name of 3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one (CID 123339043) is 3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one is Cc1cc(CN2CCOCC2)c(CNC(O)c2cccc3c2cnn3C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
The InChIKey is DISXGEUQLHQMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-17-13-18(16-29-9-11-33-12-10-29)21(25(32)28-17)14-26-24(31)20-7-4-8-23-22(20)15-27-30(23)19-5-2-3-6-19/h4,7-8,13,15,19,24,26,31H,2-3,5-6,9-12,14,16H2,1H3,(H,28,32).
What are the key properties of 3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one?
3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one has a molecular weight of 451.57 g/mol, XLogP of 2.76, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1-cyclopentylindazol-4-yl)-hydroxymethyl]amino]methyl]-6-methyl-4-(morpholin-4-ylmethyl)-1H-pyridin-2-one is sourced from PubChem (CID 123339043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).