1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C25H35N5O2 — CID 110225682

IUPAC1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(C3CCCN(C)C3)nc2NCc2cccc(OC(C)C)c2)C1
InChIInChI=1S/C25H35N5O2/c1-17(2)32-21-9-5-7-19(13-21)14-26-25-22-10-12-30(18(3)31)16-23(22)27-24(28-25)20-8-6-11-29(4)15-20/h5,7,9,13,17,20H,6,8,10-12,14-16H2,1-4H3,(H,26,27,28)
InChIKeyCESSMXJGQKDHQJ-UHFFFAOYSA-N
MW437.59 g/mol
LogP3.59
Rot. Bonds6

About 1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 110225682) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID110225682
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCC(=O)N1CCc2c(nc(C3CCCN(C)C3)nc2NCc2cccc(OC(C)C)c2)C1
InChIInChI=1S/C25H35N5O2/c1-17(2)32-21-9-5-7-19(13-21)14-26-25-22-10-12-30(18(3)31)16-23(22)27-24(28-25)20-8-6-11-29(4)15-20/h5,7,9,13,17,20H,6,8,10-12,14-16H2,1-4H3,(H,26,27,28)
InChIKeyCESSMXJGQKDHQJ-UHFFFAOYSA-N
XLogP3.59
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone with MolForge

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Related Compounds

1-[4-[[3-(difluoromethoxy)phenyl]methylamino]-2-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70707804
1-[(3R)-3-[4-[2-(3-methoxyphenyl)ethylamino]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92636137
1-[4-[3-(4-methoxyphenyl)propylamino]-2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92625491
(2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 110265779
1-[(3R)-3-[4-(methylamino)-7-[(3-methylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92623692
2-(3-methoxyphenyl)-1-[4-(methylamino)-2-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 92624926
1-[(2R)-2-[7-methyl-4-[(2-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95836526
1-[4-(4-hydroxypiperidin-1-yl)-2-[(3S)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92625622
1-[3-[4-(methylamino)-7-(pyridine-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110265726
1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-phenoxyethanone
CID 92624909
1-[3-[7-(2-methoxy-3-methylbenzoyl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110265780
1-[4-(methylamino)-2-[1-(2-phenylethyl)pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 110248761

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 110225682) is 1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CC(=O)N1CCc2c(nc(C3CCCN(C)C3)nc2NCc2cccc(OC(C)C)c2)C1.
What is the InChIKey of 1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is CESSMXJGQKDHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-17(2)32-21-9-5-7-19(13-21)14-26-25-22-10-12-30(18(3)31)16-23(22)27-24(28-25)20-8-6-11-29(4)15-20/h5,7,9,13,17,20H,6,8,10-12,14-16H2,1-4H3,(H,26,27,28).
What are the key properties of 1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 437.59 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-3-yl)-4-[(3-propan-2-yloxyphenyl)methylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 110225682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).