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

C15H16BrN3S — CID 103127896

IUPACN-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1sccc1Br)c1cnn2ccccc12
InChIInChI=1S/C15H16BrN3S/c1-2-7-17-14(15-12(16)6-9-20-15)11-10-18-19-8-4-3-5-13(11)19/h3-6,8-10,14,17H,2,7H2,1H3
InChIKeyVWCZDLQAXSBJEY-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.25
Rot. Bonds5

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

N-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine (PubChem CID 103127896) has the molecular formula C15H16BrN3S and a molecular weight of 350.29 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine
PubChem CID103127896
Molecular FormulaC15H16BrN3S
Molecular Weight350.29 g/mol
Exact Mass349.02
IUPAC NameN-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine
SMILESCCCNC(c1sccc1Br)c1cnn2ccccc12
InChIInChI=1S/C15H16BrN3S/c1-2-7-17-14(15-12(16)6-9-20-15)11-10-18-19-8-4-3-5-13(11)19/h3-6,8-10,14,17H,2,7H2,1H3
InChIKeyVWCZDLQAXSBJEY-UHFFFAOYSA-N
XLogP4.25
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]hydrazine
CID 103129863
N-[(4-bromo-1-methylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine
CID 103128352
N-[(4-bromo-1-methylpyrazol-5-yl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 105054059
N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine
CID 103126679
N-[(3-bromo-2-fluorophenyl)-(3-bromothiophen-2-yl)methyl]propan-1-amine
CID 106647972
N-[(3-bromothiophen-2-yl)-(2-propylpyrazol-3-yl)methyl]propan-1-amine
CID 115857450
[(2-methylthiophen-3-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]hydrazine
CID 103130013
N-[(3-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115380872
N-[(2-bromophenyl)-(3-chlorothiophen-2-yl)methyl]propan-1-amine
CID 80529530
N-[(3-bromothiophen-2-yl)-(4-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 81277844
N-[(1-methylpyrazol-3-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]ethanamine
CID 103134633
N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylpropan-1-amine
CID 103125767

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine (CID 103127896) is N-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine is CCCNC(c1sccc1Br)c1cnn2ccccc12.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine?
The InChIKey is VWCZDLQAXSBJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3S/c1-2-7-17-14(15-12(16)6-9-20-15)11-10-18-19-8-4-3-5-13(11)19/h3-6,8-10,14,17H,2,7H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine?
N-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine has a molecular weight of 350.29 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine is sourced from PubChem (CID 103127896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).