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

C25H30N6O2 — CID 110265745

IUPAC1-[2-(1-acetylpiperidin-3-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(1H-indol-3-yl)ethanone
SMILESCNc1nc(C2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)Cc1c[nH]c3ccccc13)C2
InChIInChI=1S/C25H30N6O2/c1-16(32)30-10-5-6-17(14-30)24-28-22-15-31(11-9-20(22)25(26-2)29-24)23(33)12-18-13-27-21-8-4-3-7-19(18)21/h3-4,7-8,13,17,27H,5-6,9-12,14-15H2,1-2H3,(H,26,28,29)
InChIKeyBURKYBLKSUZTCC-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.85
Rot. Bonds4

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

1-[2-(1-acetylpiperidin-3-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 110265745) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 1-[2-(1-acetylpiperidin-3-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-(1-acetylpiperidin-3-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID110265745
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name1-[2-(1-acetylpiperidin-3-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(1H-indol-3-yl)ethanone
SMILESCNc1nc(C2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)Cc1c[nH]c3ccccc13)C2
InChIInChI=1S/C25H30N6O2/c1-16(32)30-10-5-6-17(14-30)24-28-22-15-31(11-9-20(22)25(26-2)29-24)23(33)12-18-13-27-21-8-4-3-7-19(18)21/h3-4,7-8,13,17,27H,5-6,9-12,14-15H2,1-2H3,(H,26,28,29)
InChIKeyBURKYBLKSUZTCC-UHFFFAOYSA-N
XLogP2.85
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 92622931
3-(1H-indol-3-yl)-1-[3-[7-methyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 127251923
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-[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-[(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
1-[2-(1-acetylpiperidin-4-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-phenoxyethanone
CID 92624909
1-[(3R)-3-[4-(methylamino)-6-(2-phenylethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95832291
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
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
1-[2-chloro-4-[2-(1H-indol-3-yl)ethylamino]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 146405528
1-[2-[1-[4-(methoxymethyl)benzoyl]piperidin-3-yl]-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 110262335
2-[(2R)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 92623509

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-acetylpiperidin-3-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[2-(1-acetylpiperidin-3-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(1H-indol-3-yl)ethanone (CID 110265745) is 1-[2-(1-acetylpiperidin-3-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[2-(1-acetylpiperidin-3-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[2-(1-acetylpiperidin-3-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(1H-indol-3-yl)ethanone is CNc1nc(C2CCCN(C(C)=O)C2)nc2c1CCN(C(=O)Cc1c[nH]c3ccccc13)C2.
What is the InChIKey of 1-[2-(1-acetylpiperidin-3-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is BURKYBLKSUZTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-16(32)30-10-5-6-17(14-30)24-28-22-15-31(11-9-20(22)25(26-2)29-24)23(33)12-18-13-27-21-8-4-3-7-19(18)21/h3-4,7-8,13,17,27H,5-6,9-12,14-15H2,1-2H3,(H,26,28,29).
What are the key properties of 1-[2-(1-acetylpiperidin-3-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(1H-indol-3-yl)ethanone?
1-[2-(1-acetylpiperidin-3-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 446.56 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-acetylpiperidin-3-yl)-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 110265745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).