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

C19H18ClN5O — CID 86281026

IUPAC(2-chlorophenyl)-[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCc1nc2c(c(-c3ccn[nH]3)n1)CC(C)N(C(=O)c1ccccc1Cl)C2
InChIInChI=1S/C19H18ClN5O/c1-11-9-14-17(22-12(2)23-18(14)16-7-8-21-24-16)10-25(11)19(26)13-5-3-4-6-15(13)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyRWMUCVBGJKDWBD-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.42
Rot. Bonds2

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

(2-chlorophenyl)-[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 86281026) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is (2-chlorophenyl)-[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID86281026
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name(2-chlorophenyl)-[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCc1nc2c(c(-c3ccn[nH]3)n1)CC(C)N(C(=O)c1ccccc1Cl)C2
InChIInChI=1S/C19H18ClN5O/c1-11-9-14-17(22-12(2)23-18(14)16-7-8-21-24-16)10-25(11)19(26)13-5-3-4-6-15(13)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyRWMUCVBGJKDWBD-UHFFFAOYSA-N
XLogP3.42
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 86281026) is (2-chlorophenyl)-[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is Cc1nc2c(c(-c3ccn[nH]3)n1)CC(C)N(C(=O)c1ccccc1Cl)C2.
What is the InChIKey of (2-chlorophenyl)-[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is RWMUCVBGJKDWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-11-9-14-17(22-12(2)23-18(14)16-7-8-21-24-16)10-25(11)19(26)13-5-3-4-6-15(13)20/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of (2-chlorophenyl)-[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
(2-chlorophenyl)-[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 367.84 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 86281026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).