2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine

C17H18BrN3 — CID 63315474

IUPAC2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine
SMILESCC(C)(NCc1cnn2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3/c1-17(2,14-6-8-15(18)9-7-14)19-11-13-12-20-21-10-4-3-5-16(13)21/h3-10,12,19H,11H2,1-2H3
InChIKeyBLVQPKMNFBHSLF-UHFFFAOYSA-N
MW344.26 g/mol
LogP4.12
Rot. Bonds4

About 2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine

2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine (PubChem CID 63315474) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine
PubChem CID63315474
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine
SMILESCC(C)(NCc1cnn2ccccc12)c1ccc(Br)cc1
InChIInChI=1S/C17H18BrN3/c1-17(2,14-6-8-15(18)9-7-14)19-11-13-12-20-21-10-4-3-5-16(13)21/h3-10,12,19H,11H2,1-2H3
InChIKeyBLVQPKMNFBHSLF-UHFFFAOYSA-N
XLogP4.12
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)butan-2-ol
CID 113342065
3-(2,2-dimethylpropyl)pyrazolo[1,5-a]pyridine
CID 135157716
3-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311911
2-ethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63312135
4-bromo-2-methoxy-6-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63315167
1-(3-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)ethanamine
CID 63311968
2-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 63311958
2-bromo-6-chloro-4-fluoro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 107610370
2-bromo-5-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)aniline
CID 81270312
2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)cyclopropan-1-amine
CID 63315311
4-propyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohexan-1-amine
CID 63315088
5-bromo-6-chloro-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)pyridin-3-amine
CID 103930561

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine?
The IUPAC name of 2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine (CID 63315474) is 2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine?
The canonical SMILES for 2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine is CC(C)(NCc1cnn2ccccc12)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine?
The InChIKey is BLVQPKMNFBHSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-17(2,14-6-8-15(18)9-7-14)19-11-13-12-20-21-10-4-3-5-16(13)21/h3-10,12,19H,11H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine?
2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine has a molecular weight of 344.26 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 63315474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).