(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone

C15H14BrN5O — CID 24899497

IUPAC(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
SMILESCC1c2cc[nH]c2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H14BrN5O/c1-9-11-2-4-17-12(11)3-5-20(9)15(22)13-6-14-18-7-10(16)8-21(14)19-13/h2,4,6-9,17H,3,5H2,1H3
InChIKeyOGOYCJUDEYQTAO-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.58
Rot. Bonds1

About (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone

(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone (PubChem CID 24899497) has the molecular formula C15H14BrN5O and a molecular weight of 360.22 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
PubChem CID24899497
Molecular FormulaC15H14BrN5O
Molecular Weight360.22 g/mol
Exact Mass359.04
IUPAC Name(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
SMILESCC1c2cc[nH]c2CCN1C(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H14BrN5O/c1-9-11-2-4-17-12(11)3-5-20(9)15(22)13-6-14-18-7-10(16)8-21(14)19-13/h2,4,6-9,17H,3,5H2,1H3
InChIKeyOGOYCJUDEYQTAO-UHFFFAOYSA-N
XLogP2.58
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone
CID 68801801
(6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 24810730
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R)-7-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416501
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(5-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 58416368
(3-bromo-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)-(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 24897016
methyl 2-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-methyl-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 58416347
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(8-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 24810413
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-hydroxy-2,6-dimethyl-8,9-dihydro-6H-pyrrolo[3,4-f]isoquinolin-7-yl)methanone
CID 91257618
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-[(1R,4S)-1,4-dimethyl-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 58416395
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(3-fluoro-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24899492
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(2,4-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 59663094
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-5-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 58416434

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone (CID 24899497) is (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone is CC1c2cc[nH]c2CCN1C(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone?
The InChIKey is OGOYCJUDEYQTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5O/c1-9-11-2-4-17-12(11)3-5-20(9)15(22)13-6-14-18-7-10(16)8-21(14)19-13/h2,4,6-9,17H,3,5H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone?
(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone has a molecular weight of 360.22 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 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)-(4-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)methanone is sourced from PubChem (CID 24899497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).