5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C25H26ClN5O2 — CID 50925038

IUPAC5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCC(Cc1ccc(Cl)cc1)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C25H26ClN5O2/c1-15(11-16-5-8-18(26)9-6-16)29-23-22-20(28-14-31(4)24(22)32)12-19(30-23)17-7-10-21(27-13-17)25(2,3)33/h5-10,12-15,33H,11H2,1-4H3,(H,29,30)
InChIKeyLXEPUGYBONNSJH-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.31
Rot. Bonds6

About 5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 50925038) has the molecular formula C25H26ClN5O2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID50925038
Molecular FormulaC25H26ClN5O2
Molecular Weight463.97 g/mol
Exact Mass463.18
IUPAC Name5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCC(Cc1ccc(Cl)cc1)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C25H26ClN5O2/c1-15(11-16-5-8-18(26)9-6-16)29-23-22-20(28-14-31(4)24(22)32)12-19(30-23)17-7-10-21(27-13-17)25(2,3)33/h5-10,12-15,33H,11H2,1-4H3,(H,29,30)
InChIKeyLXEPUGYBONNSJH-UHFFFAOYSA-N
XLogP4.31
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

5-Chloro-2-ethyl-13-{2-[2-(hydroxymethyl)pyridin-4-yl]ethyl}-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470760
N-cyclopropyl-1-(3-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)phenyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 10203632
1-{3-[6-(1-Hydroxy-1-methyl-ethyl)-1-oxy-pyridin-3-ylethynyl]-phenyl}-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid cyclopropylamide
CID 10206059
N-cyclopropyl-1-[3-[6-(2-hydroxypropan-2-yl)-1-oxidopyridin-1-ium-3-yl]phenyl]-4-oxo-1,8-naphthyridine-3-carboxamide
CID 10297996
5-(Ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50924273
N-[2-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]ethyl]-2-methoxyacetamide
CID 50924433
2-[[7-[6-(2-Hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]pyridine-4-carboxylic acid
CID 50925178
5-[4-(Hydroxymethyl)piperidin-1-yl]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50925179
methyl N-[(2S)-1-[[7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-4-oxopyrido[4,3-d]pyrimidin-5-yl]amino]propan-2-yl]carbamate
CID 66892208
7-[6-(2-Hydroxypropan-2-yl)-3-pyridinyl]-3-methyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrido[4,3-d]pyrimidin-4-one
CID 66958819
7-[6-(2-Hydroxypropan-2-yl)-3-pyridinyl]-5-(3-methoxypropylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66958836
7-[4-(2-Hydroxypropan-2-yl)phenyl]-3-methyl-5-[(6-oxopiperidin-3-yl)amino]pyrido[4,3-d]pyrimidin-4-one
CID 66958842

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 50925038) is 5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is CC(Cc1ccc(Cl)cc1)Nc1nc(-c2ccc(C(C)(C)O)nc2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LXEPUGYBONNSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O2/c1-15(11-16-5-8-18(26)9-6-16)29-23-22-20(28-14-31(4)24(22)32)12-19(30-23)17-7-10-21(27-13-17)25(2,3)33/h5-10,12-15,33H,11H2,1-4H3,(H,29,30).
What are the key properties of 5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 463.97 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)propan-2-ylamino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50925038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).