7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C23H27N5O — CID 90407949

IUPAC7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC1c2ncnc(-c3ccnn3C3CCCCO3)c2CCN1Cc1ccccc1
InChIInChI=1S/C23H27N5O/c1-17-22-19(11-13-27(17)15-18-7-3-2-4-8-18)23(25-16-24-22)20-10-12-26-28(20)21-9-5-6-14-29-21/h2-4,7-8,10,12,16-17,21H,5-6,9,11,13-15H2,1H3
InChIKeyICUOVBHJEJMQLZ-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.16
Rot. Bonds4

About 7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 90407949) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID90407949
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCC1c2ncnc(-c3ccnn3C3CCCCO3)c2CCN1Cc1ccccc1
InChIInChI=1S/C23H27N5O/c1-17-22-19(11-13-27(17)15-18-7-3-2-4-8-18)23(25-16-24-22)20-10-12-26-28(20)21-9-5-6-14-29-21/h2-4,7-8,10,12,16-17,21H,5-6,9,11,13-15H2,1H3
InChIKeyICUOVBHJEJMQLZ-UHFFFAOYSA-N
XLogP4.16
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 90407949) is 7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CC1c2ncnc(-c3ccnn3C3CCCCO3)c2CCN1Cc1ccccc1.
What is the InChIKey of 7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is ICUOVBHJEJMQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-17-22-19(11-13-27(17)15-18-7-3-2-4-8-18)23(25-16-24-22)20-10-12-26-28(20)21-9-5-6-14-29-21/h2-4,7-8,10,12,16-17,21H,5-6,9,11,13-15H2,1H3.
What are the key properties of 7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 389.50 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-8-methyl-4-[2-(oxan-2-yl)pyrazol-3-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 90407949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).