5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C23H30N6O3 — CID 66959283

IUPAC5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC3CCN(CCO)CC3)c2c1=O
InChIInChI=1S/C23H30N6O3/c1-23(2,32)19-5-4-15(13-24-19)17-12-18-20(22(31)28(3)14-25-18)21(27-17)26-16-6-8-29(9-7-16)10-11-30/h4-5,12-14,16,30,32H,6-11H2,1-3H3,(H,26,27)
InChIKeyYVPCHJKSDGCOPQ-UHFFFAOYSA-N
MW438.53 g/mol
LogP1.49
Rot. Bonds6

About 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 66959283) has the molecular formula C23H30N6O3 and a molecular weight of 438.53 g/mol. Its IUPAC name is 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID66959283
Molecular FormulaC23H30N6O3
Molecular Weight438.53 g/mol
Exact Mass438.24
IUPAC Name5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC3CCN(CCO)CC3)c2c1=O
InChIInChI=1S/C23H30N6O3/c1-23(2,32)19-5-4-15(13-24-19)17-12-18-20(22(31)28(3)14-25-18)21(27-17)26-16-6-8-29(9-7-16)10-11-30/h4-5,12-14,16,30,32H,6-11H2,1-3H3,(H,26,27)
InChIKeyYVPCHJKSDGCOPQ-UHFFFAOYSA-N
XLogP1.49
TPSA116.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

6-[2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]pyrimidin-5-yl]-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 72792627
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
N-benzyl-6-[3-[[4-(hydroxymethyl)benzoyl]amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide
CID 57748318
N-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 118036463
(racemic) N-(5-cyano-4-((3-(dimethylamino)-2-hydroxy-2-methylpropyl)amino)pyridin-2-yl)-7-formyl-6-(hydroxymethyl)-3,4-dihydro-1,8-naphthyridine-1(2H)-carboxamide
CID 118036782
4-[[7-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide
CID 156283148
6-anilino-4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pyridine-3-carboxamide
CID 137648767
3-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]benzamide
CID 164629043
3-[3-fluoro-4-[[2-[(1R)-1-hydroxy-1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-yl]amino]phenyl]-1-methylpyridin-2-one
CID 166635647
5-(Ethylamino)-7-[4-(1-hydroxycyclobutyl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50924273

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 66959283) is 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NC3CCN(CCO)CC3)c2c1=O.
What is the InChIKey of 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YVPCHJKSDGCOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3/c1-23(2,32)19-5-4-15(13-24-19)17-12-18-20(22(31)28(3)14-25-18)21(27-17)26-16-6-8-29(9-7-16)10-11-30/h4-5,12-14,16,30,32H,6-11H2,1-3H3,(H,26,27).
What are the key properties of 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 438.53 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-hydroxyethyl)piperidin-4-yl]amino]-7-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66959283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).