(2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C22H25N5O — CID 123210711

IUPAC(2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCCCc1ccn(-c2ncnc3c2CCN(C(=O)c2cccc(C)c2C)C3)n1
InChIInChI=1S/C22H25N5O/c1-4-6-17-9-12-27(25-17)21-19-10-11-26(13-20(19)23-14-24-21)22(28)18-8-5-7-15(2)16(18)3/h5,7-9,12,14H,4,6,10-11,13H2,1-3H3
InChIKeyOZLYTSHGWNHNGP-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.43
Rot. Bonds4

About (2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

(2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 123210711) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID123210711
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name(2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCCCc1ccn(-c2ncnc3c2CCN(C(=O)c2cccc(C)c2C)C3)n1
InChIInChI=1S/C22H25N5O/c1-4-6-17-9-12-27(25-17)21-19-10-11-26(13-20(19)23-14-24-21)22(28)18-8-5-7-15(2)16(18)3/h5,7-9,12,14H,4,6,10-11,13H2,1-3H3
InChIKeyOZLYTSHGWNHNGP-UHFFFAOYSA-N
XLogP3.43
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of (2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 123210711) is (2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for (2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is CCCc1ccn(-c2ncnc3c2CCN(C(=O)c2cccc(C)c2C)C3)n1.
What is the InChIKey of (2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is OZLYTSHGWNHNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-4-6-17-9-12-27(25-17)21-19-10-11-26(13-20(19)23-14-24-21)22(28)18-8-5-7-15(2)16(18)3/h5,7-9,12,14H,4,6,10-11,13H2,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
(2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 375.48 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 123210711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).