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

C21H31N5O2 — CID 92625505

IUPAC1-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCNc1nc(C2CCN(C(=O)C3CCCC3)CC2)nc2c1CCN(C(C)=O)C2
InChIInChI=1S/C21H31N5O2/c1-14(27)26-12-9-17-18(13-26)23-19(24-20(17)22-2)15-7-10-25(11-8-15)21(28)16-5-3-4-6-16/h15-16H,3-13H2,1-2H3,(H,22,23,24)
InChIKeyHAMUJUQQRWYYBA-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.32
Rot. Bonds3

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

1-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (PubChem CID 92625505) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
PubChem CID92625505
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name1-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
SMILESCNc1nc(C2CCN(C(=O)C3CCCC3)CC2)nc2c1CCN(C(C)=O)C2
InChIInChI=1S/C21H31N5O2/c1-14(27)26-12-9-17-18(13-26)23-19(24-20(17)22-2)15-7-10-25(11-8-15)21(28)16-5-3-4-6-16/h15-16H,3-13H2,1-2H3,(H,22,23,24)
InChIKeyHAMUJUQQRWYYBA-UHFFFAOYSA-N
XLogP2.32
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The IUPAC name of 1-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone (CID 92625505) is 1-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone.
What is the SMILES notation for 1-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The canonical SMILES for 1-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is CNc1nc(C2CCN(C(=O)C3CCCC3)CC2)nc2c1CCN(C(C)=O)C2.
What is the InChIKey of 1-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
The InChIKey is HAMUJUQQRWYYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-14(27)26-12-9-17-18(13-26)23-19(24-20(17)22-2)15-7-10-25(11-8-15)21(28)16-5-3-4-6-16/h15-16H,3-13H2,1-2H3,(H,22,23,24).
What are the key properties of 1-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone?
1-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone has a molecular weight of 385.51 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(cyclopentanecarbonyl)piperidin-4-yl]-4-(methylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone is sourced from PubChem (CID 92625505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).