1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone

C24H38N6O2 — CID 92623535

IUPAC1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCNc1nc([C@H]2CCCCN2C(=O)C2CCN(C(C)C)CC2)nc2c1CCN(C(C)=O)C2
InChIInChI=1S/C24H38N6O2/c1-16(2)28-12-8-18(9-13-28)24(32)30-11-6-5-7-21(30)23-26-20-15-29(17(3)31)14-10-19(20)22(25-4)27-23/h16,18,21H,5-15H2,1-4H3,(H,25,26,27)/t21-/m1/s1
InChIKeyNVBMBCYYJMUBBD-OAQYLSRUSA-N
MW442.61 g/mol
LogP2.60
Rot. Bonds4

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

1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 92623535) has the molecular formula C24H38N6O2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID92623535
Molecular FormulaC24H38N6O2
Molecular Weight442.61 g/mol
Exact Mass442.31
IUPAC Name1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCNc1nc([C@H]2CCCCN2C(=O)C2CCN(C(C)C)CC2)nc2c1CCN(C(C)=O)C2
InChIInChI=1S/C24H38N6O2/c1-16(2)28-12-8-18(9-13-28)24(32)30-11-6-5-7-21(30)23-26-20-15-29(17(3)31)14-10-19(20)22(25-4)27-23/h16,18,21H,5-15H2,1-4H3,(H,25,26,27)/t21-/m1/s1
InChIKeyNVBMBCYYJMUBBD-OAQYLSRUSA-N
XLogP2.60
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.61
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[4-(methylamino)-2-[(2S)-1-methylpyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95836531
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
1-[4-(methylamino)-2-[(2S)-1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 92623016
1-[(2S)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 92622964
1-[4-(methylamino)-2-[1-(3-pyrrolidin-1-ylbenzoyl)pyrrolidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 110265953
1-[2-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 95836477
1-[2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 110268715
1-[(2R)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 92623055
2-[2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 110265898
1-[(2R)-2-[7-acetyl-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]pyrrolidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 92622929
1-[4-(methylamino)-2-[(2R)-1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 92624553
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 92623535) is 1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CNc1nc([C@H]2CCCCN2C(=O)C2CCN(C(C)C)CC2)nc2c1CCN(C(C)=O)C2.
What is the InChIKey of 1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is NVBMBCYYJMUBBD-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H38N6O2/c1-16(2)28-12-8-18(9-13-28)24(32)30-11-6-5-7-21(30)23-26-20-15-29(17(3)31)14-10-19(20)22(25-4)27-23/h16,18,21H,5-15H2,1-4H3,(H,25,26,27)/t21-/m1/s1.
What are the key properties of 1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 442.61 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methylamino)-2-[(2R)-1-(1-propan-2-ylpiperidine-4-carbonyl)piperidin-2-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 92623535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).