3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine

C32H25Br2N7 — CID 159835747

IUPAC3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESBrc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)cc12.Nc1cc(-c2ccccc2)cc2c(Br)cnn12
InChIInChI=1S/C19H15BrN4.C13H10BrN3/c20-17-13-23-24-18(17)9-16(15-6-2-1-3-7-15)10-19(24)22-12-14-5-4-8-21-11-14;14-11-8-16-17-12(11)6-10(7-13(17)15)9-4-2-1-3-5-9/h1-11,13,22H,12H2;1-8H,15H2
InChIKeyNOAWDQJUACPXIY-UHFFFAOYSA-N
MW667.41 g/mol
LogP8.12
Rot. Bonds5

About 3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine

3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 159835747) has the molecular formula C32H25Br2N7 and a molecular weight of 667.41 g/mol. Its IUPAC name is 3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
PubChem CID159835747
Molecular FormulaC32H25Br2N7
Molecular Weight667.41 g/mol
Exact Mass665.05
IUPAC Name3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESBrc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)cc12.Nc1cc(-c2ccccc2)cc2c(Br)cnn12
InChIInChI=1S/C19H15BrN4.C13H10BrN3/c20-17-13-23-24-18(17)9-16(15-6-2-1-3-7-15)10-19(24)22-12-14-5-4-8-21-11-14;14-11-8-16-17-12(11)6-10(7-13(17)15)9-4-2-1-3-5-9/h1-11,13,22H,12H2;1-8H,15H2
InChIKeyNOAWDQJUACPXIY-UHFFFAOYSA-N
XLogP8.12
TPSA85.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.41
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine with MolForge

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Related Compounds

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
5-(3-bromophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 23586143
(5Z)-5-(3-Bromocyclohexa-2,5-dien-1-ylidene)-N-(pyridin-4-ylmethyl)-1,5-dihydro[1,2,4]triazolo[1,5-A]pyrimidin-7-amine
CID 5327131
1-Allyl-5-(2-phenylpyrazolo[1,5-A]pyridin-3-YL)-1H-pyrazolo[3,4-C]pyridazin-3-amine
CID 6419426
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyridinyl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
CID 10115190
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-phenylpyridin-2-amine
CID 10177802
N-cyclopentyl-3-[2-(cyclopentylamino)-4-pyrimidinyl]-2-phenylpyrazolo[1,5-a]pyridin-7-amine
CID 10181645
N-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
CID 10294033
3-bromo-5-(piperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11303752
3-bromo-5-(piperidin-3-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 11395082

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine (CID 159835747) is 3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine is Brc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)cc12.Nc1cc(-c2ccccc2)cc2c(Br)cnn12.
What is the InChIKey of 3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is NOAWDQJUACPXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4.C13H10BrN3/c20-17-13-23-24-18(17)9-16(15-6-2-1-3-7-15)10-19(24)22-12-14-5-4-8-21-11-14;14-11-8-16-17-12(11)6-10(7-13(17)15)9-4-2-1-3-5-9/h1-11,13,22H,12H2;1-8H,15H2.
What are the key properties of 3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine?
3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 667.41 g/mol, XLogP of 8.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-phenylpyrazolo[1,5-a]pyridin-7-amine;3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 159835747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).