[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone

C24H26N6O2 — CID 110264765

IUPAC[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone
SMILESCOc1ccc2c(c1)cc(C(=O)N1CCCC(c3ccc4c(N)nc(C)nc4n3)C1)n2C
InChIInChI=1S/C24H26N6O2/c1-14-26-22(25)18-7-8-19(28-23(18)27-14)15-5-4-10-30(13-15)24(31)21-12-16-11-17(32-3)6-9-20(16)29(21)2/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H2,25,26,27,28)
InChIKeyRBHQYRWNSVGZSS-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.44
Rot. Bonds3

About [3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone

[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone (PubChem CID 110264765) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is [3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone
PubChem CID110264765
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone
SMILESCOc1ccc2c(c1)cc(C(=O)N1CCCC(c3ccc4c(N)nc(C)nc4n3)C1)n2C
InChIInChI=1S/C24H26N6O2/c1-14-26-22(25)18-7-8-19(28-23(18)27-14)15-5-4-10-30(13-15)24(31)21-12-16-11-17(32-3)6-9-20(16)29(21)2/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H2,25,26,27,28)
InChIKeyRBHQYRWNSVGZSS-UHFFFAOYSA-N
XLogP3.44
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

3-[1-(5-methoxy-1-methylindole-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 70727049
(9aS)-2-(5-methoxy-1-methylindole-2-carbonyl)-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95119899
[(3R)-3-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-fluoro-1-methylindol-2-yl)methanone
CID 95813951
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone
CID 126449791
5-[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 92630985
2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 110264753
[(3R)-1-(6-methoxy-1-methylindole-2-carbonyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 25289588
5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45244350
5-methoxy-1-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)indole-2-carboxamide
CID 70744157
[(3S)-3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-cyclopentylmethanone
CID 92631019
5-methoxy-1-methyl-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)indole-2-carboxamide
CID 70777797
[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
CID 95120636

Frequently Asked Questions

What is the IUPAC name of [3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone?
The IUPAC name of [3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone (CID 110264765) is [3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone.
What is the SMILES notation for [3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone?
The canonical SMILES for [3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone is COc1ccc2c(c1)cc(C(=O)N1CCCC(c3ccc4c(N)nc(C)nc4n3)C1)n2C.
What is the InChIKey of [3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone?
The InChIKey is RBHQYRWNSVGZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-14-26-22(25)18-7-8-19(28-23(18)27-14)15-5-4-10-30(13-15)24(31)21-12-16-11-17(32-3)6-9-20(16)29(21)2/h6-9,11-12,15H,4-5,10,13H2,1-3H3,(H2,25,26,27,28).
What are the key properties of [3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone?
[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone has a molecular weight of 430.51 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-(5-methoxy-1-methylindol-2-yl)methanone is sourced from PubChem (CID 110264765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).