1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one

C18H25N7O — CID 118786005

IUPAC1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CCCn1cncn1)C2
InChIInChI=1S/C18H25N7O/c1-14-21-16-11-24(17(26)5-4-9-25-13-19-12-20-25)10-6-15(16)18(22-14)23-7-2-3-8-23/h12-13H,2-11H2,1H3
InChIKeyDYRTZRHPDAYMTG-UHFFFAOYSA-N
MW355.45 g/mol
LogP1.34
Rot. Bonds5

About 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one

1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one (PubChem CID 118786005) has the molecular formula C18H25N7O and a molecular weight of 355.45 g/mol. Its IUPAC name is 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one
PubChem CID118786005
Molecular FormulaC18H25N7O
Molecular Weight355.45 g/mol
Exact Mass355.21
IUPAC Name1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one
SMILESCc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CCCn1cncn1)C2
InChIInChI=1S/C18H25N7O/c1-14-21-16-11-24(17(26)5-4-9-25-13-19-12-20-25)10-6-15(16)18(22-14)23-7-2-3-8-23/h12-13H,2-11H2,1H3
InChIKeyDYRTZRHPDAYMTG-UHFFFAOYSA-N
XLogP1.34
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one with MolForge

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Related Compounds

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CID 56870607
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CID 56872854
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CID 56879733

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one?
The IUPAC name of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one (CID 118786005) is 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one.
What is the SMILES notation for 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one?
The canonical SMILES for 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one is Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)CCCn1cncn1)C2.
What is the InChIKey of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one?
The InChIKey is DYRTZRHPDAYMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N7O/c1-14-21-16-11-24(17(26)5-4-9-25-13-19-12-20-25)10-6-15(16)18(22-14)23-7-2-3-8-23/h12-13H,2-11H2,1H3.
What are the key properties of 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one?
1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one has a molecular weight of 355.45 g/mol, XLogP of 1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-4-(1,2,4-triazol-1-yl)butan-1-one is sourced from PubChem (CID 118786005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).