(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C20H19ClN4O — CID 24811824

IUPAC(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1ccc(C2=CCN(C(=O)c3cc4ncc(Cl)cn4n3)C(C)C2)cc1
InChIInChI=1S/C20H19ClN4O/c1-13-3-5-15(6-4-13)16-7-8-24(14(2)9-16)20(26)18-10-19-22-11-17(21)12-25(19)23-18/h3-7,10-12,14H,8-9H2,1-2H3
InChIKeyYLQJUNXWJOYOOS-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.01
Rot. Bonds2

About (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 24811824) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID24811824
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1ccc(C2=CCN(C(=O)c3cc4ncc(Cl)cn4n3)C(C)C2)cc1
InChIInChI=1S/C20H19ClN4O/c1-13-3-5-15(6-4-13)16-7-8-24(14(2)9-16)20(26)18-10-19-22-11-17(21)12-25(19)23-18/h3-7,10-12,14H,8-9H2,1-2H3
InChIKeyYLQJUNXWJOYOOS-UHFFFAOYSA-N
XLogP4.01
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 24811824) is (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is Cc1ccc(C2=CCN(C(=O)c3cc4ncc(Cl)cn4n3)C(C)C2)cc1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is YLQJUNXWJOYOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-13-3-5-15(6-4-13)16-7-8-24(14(2)9-16)20(26)18-10-19-22-11-17(21)12-25(19)23-18/h3-7,10-12,14H,8-9H2,1-2H3.
What are the key properties of (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 366.85 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 24811824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).