(2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C23H31N5O2 — CID 110265779

IUPAC(2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCNc1nc(C2CCCN(C)C2)nc2c1CCN(C(=O)c1cccc(C)c1OC)C2
InChIInChI=1S/C23H31N5O2/c1-15-7-5-9-18(20(15)30-4)23(29)28-12-10-17-19(14-28)25-21(26-22(17)24-2)16-8-6-11-27(3)13-16/h5,7,9,16H,6,8,10-14H2,1-4H3,(H,24,25,26)
InChIKeyNASKOXRUYHDTQO-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.84
Rot. Bonds4

About (2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

(2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 110265779) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is (2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID110265779
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name(2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCNc1nc(C2CCCN(C)C2)nc2c1CCN(C(=O)c1cccc(C)c1OC)C2
InChIInChI=1S/C23H31N5O2/c1-15-7-5-9-18(20(15)30-4)23(29)28-12-10-17-19(14-28)25-21(26-22(17)24-2)16-8-6-11-27(3)13-16/h5,7,9,16H,6,8,10-14H2,1-4H3,(H,24,25,26)
InChIKeyNASKOXRUYHDTQO-UHFFFAOYSA-N
XLogP2.84
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-[(3R)-1-(quinoline-8-carbonyl)pyrrolidin-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 124964878
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
3-(2-methoxyphenyl)-1-[4-(methylamino)-2-[(3R)-1-methylpiperidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 92624607
(2-methoxy-3-methylphenyl)-[2-(1-methylpiperidin-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 92561347
1-[(3R)-3-[4-(methylamino)-7-(4-methyl-1,3-thiazole-5-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92623662
[(3R)-3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-phenylmethanone
CID 92636376
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-[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
2-cyclohexyl-1-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110262174
1-[(3R)-3-[4-(methylamino)-6-(quinoline-8-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]ethanone
CID 124970302
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

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of (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) is (2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for (2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for (2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is CNc1nc(C2CCCN(C)C2)nc2c1CCN(C(=O)c1cccc(C)c1OC)C2.
What is the InChIKey of (2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is NASKOXRUYHDTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-15-7-5-9-18(20(15)30-4)23(29)28-12-10-17-19(14-28)25-21(26-22(17)24-2)16-8-6-11-27(3)13-16/h5,7,9,16H,6,8,10-14H2,1-4H3,(H,24,25,26).
What are the key properties of (2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
(2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 409.53 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-3-methylphenyl)-[4-(methylamino)-2-(1-methylpiperidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 110265779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).