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

C21H18BrN5O — CID 68797662

IUPAC(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCC1c2ccc(-c3cccnc3)n2CCN1C(=O)c1cc2ccc(Br)cn2n1
InChIInChI=1S/C21H18BrN5O/c1-14-19-6-7-20(15-3-2-8-23-12-15)26(19)10-9-25(14)21(28)18-11-17-5-4-16(22)13-27(17)24-18/h2-8,11-14H,9-10H2,1H3
InChIKeyRGEXZMNAEYLPAQ-UHFFFAOYSA-N
MW436.31 g/mol
LogP4.18
Rot. Bonds2

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

(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 68797662) has the molecular formula C21H18BrN5O and a molecular weight of 436.31 g/mol. Its IUPAC name is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID68797662
Molecular FormulaC21H18BrN5O
Molecular Weight436.31 g/mol
Exact Mass435.07
IUPAC Name(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCC1c2ccc(-c3cccnc3)n2CCN1C(=O)c1cc2ccc(Br)cn2n1
InChIInChI=1S/C21H18BrN5O/c1-14-19-6-7-20(15-3-2-8-23-12-15)26(19)10-9-25(14)21(28)18-11-17-5-4-16(22)13-27(17)24-18/h2-8,11-14H,9-10H2,1H3
InChIKeyRGEXZMNAEYLPAQ-UHFFFAOYSA-N
XLogP4.18
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.31
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone with MolForge

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Related Compounds

(6-bromo-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(6-chloropyrazolo[1,5-a]pyridin-2-yl)methanone
CID 68800895
(6-bromo-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-bromopyrazolo[1,5-a]pyridin-2-yl)methanone
CID 68799758
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[3-(furan-3-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 68801629
(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-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(1-methyl-5-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 58416434
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-chloro-7-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)methanone
CID 68801842
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(2-chloro-7-methyl-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl)methanone
CID 68798826
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-[1-methyl-7-(5-methylfuran-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 68801591
(1-carbamoylcycloprop-2-en-1-yl) 2-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-6-carboxylate
CID 91393807
6-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 155985788
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(8-methyl-3-pyrimidin-5-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-pyrimidin-4-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(3-pyrimidin-5-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyridin-2-yl)-[3-(6-fluoro-3-pyridinyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(8-methyl-3-pyrimidin-5-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone;(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(3-pyrimidin-5-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 173124037
[6-[(Z)-1-amino-3-ethenyliminoprop-1-enyl]-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 67590952

Frequently Asked Questions

What is the IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 68797662) is (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is CC1c2ccc(-c3cccnc3)n2CCN1C(=O)c1cc2ccc(Br)cn2n1.
What is the InChIKey of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is RGEXZMNAEYLPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN5O/c1-14-19-6-7-20(15-3-2-8-23-12-15)26(19)10-9-25(14)21(28)18-11-17-5-4-16(22)13-27(17)24-18/h2-8,11-14H,9-10H2,1H3.
What are the key properties of (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
(6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 436.31 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromopyrazolo[1,5-a]pyridin-2-yl)-(1-methyl-6-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 68797662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).