3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine

C14H15N3S — CID 155543030

IUPAC3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine
SMILESCCCCc1[nH]nc2ccnc(-c3ccsc3)c12
InChIInChI=1S/C14H15N3S/c1-2-3-4-11-13-12(17-16-11)5-7-15-14(13)10-6-8-18-9-10/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyCPNZRADJTAKSGO-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.03
Rot. Bonds4

About 3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine

3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine (PubChem CID 155543030) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine
PubChem CID155543030
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine
SMILESCCCCc1[nH]nc2ccnc(-c3ccsc3)c12
InChIInChI=1S/C14H15N3S/c1-2-3-4-11-13-12(17-16-11)5-7-15-14(13)10-6-8-18-9-10/h5-9H,2-4H2,1H3,(H,16,17)
InChIKeyCPNZRADJTAKSGO-UHFFFAOYSA-N
XLogP4.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-4-yl-1H-indazole
CID 12412578
3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
5-(5-{[(2S)-2-amino-3-(1H-indol-3-yl)propyl]sulfanyl}pyridin-3-yl)-3-methyl-1H-indazole
CID 23647014
2-(1H-indol-3-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 3745859
3-(thiophen-3-yl)-1H-indol-6-amine
CID 44410875
4-(3-(thiophen-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11054978
1-thiophen-3-yl-9H-pyrido[3,4-b]indole
CID 44286020
US10377753, Example 130
CID 124175977
5-(3,5-difluorophenyl)sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole
CID 156734108
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(thiophen-3-ylmethyl)urea
CID 92044791
3-[4-(1-Methylpyrazol-4-yl)thiophen-2-yl]pyridine
CID 145989761
N-(3-fluorophenyl)-2-[3-(6-methyl-2-pyridinyl)-4-thieno[3,2-c]pyridin-2-ylpyrazol-1-yl]ethanethioamide
CID 155562494

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine (CID 155543030) is 3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine is CCCCc1[nH]nc2ccnc(-c3ccsc3)c12.
What is the InChIKey of 3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is CPNZRADJTAKSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-2-3-4-11-13-12(17-16-11)5-7-15-14(13)10-6-8-18-9-10/h5-9H,2-4H2,1H3,(H,16,17).
What are the key properties of 3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine?
3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 257.36 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-thiophen-3-yl-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 155543030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).