(4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

C27H25ClN6O — CID 71455843

IUPAC(4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C27H25ClN6O/c1-33(16-11-22-4-2-3-13-30-22)26-23-18-34(27(35)20-5-7-21(28)8-6-20)17-12-24(23)31-25(32-26)19-9-14-29-15-10-19/h2-10,13-15H,11-12,16-18H2,1H3
InChIKeySDEUBCMETIXXFB-UHFFFAOYSA-N
MW484.99 g/mol
LogP4.46
Rot. Bonds6

About (4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone

(4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (PubChem CID 71455843) has the molecular formula C27H25ClN6O and a molecular weight of 484.99 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
PubChem CID71455843
Molecular FormulaC27H25ClN6O
Molecular Weight484.99 g/mol
Exact Mass484.18
IUPAC Name(4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
SMILESCN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)c1ccc(Cl)cc1)CC2
InChIInChI=1S/C27H25ClN6O/c1-33(16-11-22-4-2-3-13-30-22)26-23-18-34(27(35)20-5-7-21(28)8-6-20)17-12-24(23)31-25(32-26)19-9-14-29-15-10-19/h2-10,13-15H,11-12,16-18H2,1H3
InChIKeySDEUBCMETIXXFB-UHFFFAOYSA-N
XLogP4.46
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.99
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone (CID 71455843) is (4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)c1ccc(Cl)cc1)CC2.
What is the InChIKey of (4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
The InChIKey is SDEUBCMETIXXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O/c1-33(16-11-22-4-2-3-13-30-22)26-23-18-34(27(35)20-5-7-21(28)8-6-20)17-12-24(23)31-25(32-26)19-9-14-29-15-10-19/h2-10,13-15H,11-12,16-18H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone?
(4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone has a molecular weight of 484.99 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone is sourced from PubChem (CID 71455843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).