(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C17H18ClN7O — CID 56863196

IUPAC(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCc1cnc2c(Cl)c(C(=O)N3CCc4c(ncnc4N(C)C)C3)nn2c1
InChIInChI=1S/C17H18ClN7O/c1-10-6-19-16-13(18)14(22-25(16)7-10)17(26)24-5-4-11-12(8-24)20-9-21-15(11)23(2)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyJOJZYYQKWGOEQC-UHFFFAOYSA-N
MW371.83 g/mol
LogP1.75
Rot. Bonds2

About (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 56863196) has the molecular formula C17H18ClN7O and a molecular weight of 371.83 g/mol. Its IUPAC name is (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID56863196
Molecular FormulaC17H18ClN7O
Molecular Weight371.83 g/mol
Exact Mass371.13
IUPAC Name(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCc1cnc2c(Cl)c(C(=O)N3CCc4c(ncnc4N(C)C)C3)nn2c1
InChIInChI=1S/C17H18ClN7O/c1-10-6-19-16-13(18)14(22-25(16)7-10)17(26)24-5-4-11-12(8-24)20-9-21-15(11)23(2)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyJOJZYYQKWGOEQC-UHFFFAOYSA-N
XLogP1.75
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 56863196) is (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is Cc1cnc2c(Cl)c(C(=O)N3CCc4c(ncnc4N(C)C)C3)nn2c1.
What is the InChIKey of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is JOJZYYQKWGOEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN7O/c1-10-6-19-16-13(18)14(22-25(16)7-10)17(26)24-5-4-11-12(8-24)20-9-21-15(11)23(2)3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
(3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 371.83 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 56863196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).