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

C20H19BrN4O — CID 24811821

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1cccc(C2=CCN(C(=O)c3cc4ncc(Br)cn4n3)C(C)C2)c1
InChIInChI=1S/C20H19BrN4O/c1-13-4-3-5-15(8-13)16-6-7-24(14(2)9-16)20(26)18-10-19-22-11-17(21)12-25(19)23-18/h3-6,8,10-12,14H,7,9H2,1-2H3
InChIKeyUUFRTDNKRZMLDR-UHFFFAOYSA-N
MW411.30 g/mol
LogP4.12
Rot. Bonds2

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

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 24811821) has the molecular formula C20H19BrN4O and a molecular weight of 411.30 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID24811821
Molecular FormulaC20H19BrN4O
Molecular Weight411.30 g/mol
Exact Mass410.07
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCc1cccc(C2=CCN(C(=O)c3cc4ncc(Br)cn4n3)C(C)C2)c1
InChIInChI=1S/C20H19BrN4O/c1-13-4-3-5-15(8-13)16-6-7-24(14(2)9-16)20(26)18-10-19-22-11-17(21)12-25(19)23-18/h3-6,8,10-12,14H,7,9H2,1-2H3
InChIKeyUUFRTDNKRZMLDR-UHFFFAOYSA-N
XLogP4.12
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[4-[3-Bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]benzamide
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US10774086, Example 9
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2,7-dimethyl-N,3-diphenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
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CID 1921960
hexahydropyrrolo[1,2-a]pyrazin-2(1H)-yl[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 5207625
4-N,4-N,1-trimethyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)pyrazole-4,5-dicarboxamide
CID 165415043
4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 24811821) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is Cc1cccc(C2=CCN(C(=O)c3cc4ncc(Br)cn4n3)C(C)C2)c1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is UUFRTDNKRZMLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O/c1-13-4-3-5-15(8-13)16-6-7-24(14(2)9-16)20(26)18-10-19-22-11-17(21)12-25(19)23-18/h3-6,8,10-12,14H,7,9H2,1-2H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 411.30 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[2-methyl-4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 24811821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).