6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C22H16BrN7 — CID 58173439

IUPAC6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(N2Cc3ccncc3C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C22H16BrN7/c23-19-20(24)30-21(28-22(19)29-11-14-5-6-25-8-16(14)12-29)17(10-27-30)15-7-13-3-1-2-4-18(13)26-9-15/h1-10H,11-12,24H2
InChIKeySIMPSVSXKQCYSE-UHFFFAOYSA-N
MW458.32 g/mol
LogP4.20
Rot. Bonds2

About 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58173439) has the molecular formula C22H16BrN7 and a molecular weight of 458.32 g/mol. Its IUPAC name is 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58173439
Molecular FormulaC22H16BrN7
Molecular Weight458.32 g/mol
Exact Mass457.07
IUPAC Name6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESNc1c(Br)c(N2Cc3ccncc3C2)nc2c(-c3cnc4ccccc4c3)cnn12
InChIInChI=1S/C22H16BrN7/c23-19-20(24)30-21(28-22(19)29-11-14-5-6-25-8-16(14)12-29)17(10-27-30)15-7-13-3-1-2-4-18(13)26-9-15/h1-10H,11-12,24H2
InChIKeySIMPSVSXKQCYSE-UHFFFAOYSA-N
XLogP4.20
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

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CID 46911863
PF-04254644
CID 24871823
Ldn-212854
CID 60182388
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
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4-[1-(but-3-en-1-yl)-1H-pyrazol-4-yl]-N-[4-(piperidin-4-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155570100
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10249180
3-bromo-5-phenyl-N-(pyrimidin-5-ylmethyl)pyrazolo(1,5-a)pyridin-7-amine
CID 10317619
3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10339710
3-((3-Bromo-5-o-tolylpyrazolo(1,5-a)pyrimidin-7-ylamino)methyl)pyridine 1-oxide
CID 11304412

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 58173439) is 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Nc1c(Br)c(N2Cc3ccncc3C2)nc2c(-c3cnc4ccccc4c3)cnn12.
What is the InChIKey of 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SIMPSVSXKQCYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN7/c23-19-20(24)30-21(28-22(19)29-11-14-5-6-25-8-16(14)12-29)17(10-27-30)15-7-13-3-1-2-4-18(13)26-9-15/h1-10H,11-12,24H2.
What are the key properties of 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 458.32 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58173439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).