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

C16H18BrN3S — CID 103126679

IUPACN-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)c1cnn2ccccc12
InChIInChI=1S/C16H18BrN3S/c1-2-8-18-14(10-12-6-7-16(17)21-12)13-11-19-20-9-4-3-5-15(13)20/h3-7,9,11,14,18H,2,8,10H2,1H3
InChIKeyKHNBPRNSCALTCS-UHFFFAOYSA-N
MW364.31 g/mol
LogP4.44
Rot. Bonds6

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

N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine (PubChem CID 103126679) has the molecular formula C16H18BrN3S and a molecular weight of 364.31 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine
PubChem CID103126679
Molecular FormulaC16H18BrN3S
Molecular Weight364.31 g/mol
Exact Mass363.04
IUPAC NameN-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)s1)c1cnn2ccccc12
InChIInChI=1S/C16H18BrN3S/c1-2-8-18-14(10-12-6-7-16(17)21-12)13-11-19-20-9-4-3-5-15(13)20/h3-7,9,11,14,18H,2,8,10H2,1H3
InChIKeyKHNBPRNSCALTCS-UHFFFAOYSA-N
XLogP4.44
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromothiophen-2-yl)-N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126678
N-[2-(5-bromothiophen-2-yl)-1-(2,3-dimethylphenyl)ethyl]propan-1-amine
CID 115840802
N-[(3-bromothiophen-2-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine
CID 103127896
N-(1-pyrazolo[1,5-a]pyrazin-3-yl-2-thiophen-2-ylethyl)propan-1-amine
CID 103126662
N-[2-(5-bromothiophen-2-yl)-1-(2,4-dibromophenyl)ethyl]propan-1-amine
CID 107945453
N-[(4-bromo-1-methylpyrazol-5-yl)-pyrazolo[1,5-a]pyridin-3-ylmethyl]propan-1-amine
CID 103128352
N-[2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine
CID 105065400
2-(5-bromo-2-pyridinyl)-N-ethyl-1-pyrazolo[1,5-a]pyridin-3-ylethanamine
CID 103128127
N-[2-(5-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522487
N-methyl-1-pyrazolo[1,5-a]pyridin-3-ylpropan-1-amine
CID 103125767
N-[1-(2-bromo-4-fluorophenyl)-2-(5-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115840822
N-[2-(5-bromothiophen-2-yl)-1-pyrimidin-4-ylethyl]propan-1-amine
CID 63989185

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine (CID 103126679) is N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine is CCCNC(Cc1ccc(Br)s1)c1cnn2ccccc12.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine?
The InChIKey is KHNBPRNSCALTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3S/c1-2-8-18-14(10-12-6-7-16(17)21-12)13-11-19-20-9-4-3-5-15(13)20/h3-7,9,11,14,18H,2,8,10H2,1H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine?
N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine has a molecular weight of 364.31 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)-1-pyrazolo[1,5-a]pyridin-3-ylethyl]propan-1-amine is sourced from PubChem (CID 103126679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).