5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide

C18H24N4OS — CID 45225208

IUPAC5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1n[nH]c2c1CCCC2)c1ccc(C2CCCN2)s1
InChIInChI=1S/C18H24N4OS/c23-18(17-8-7-16(24-17)15-6-3-10-19-15)20-11-9-14-12-4-1-2-5-13(12)21-22-14/h7-8,15,19H,1-6,9-11H2,(H,20,23)(H,21,22)
InChIKeyBHNVULIJRGRRLC-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.75
Rot. Bonds5

About 5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide

5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide (PubChem CID 45225208) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide
PubChem CID45225208
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCc1n[nH]c2c1CCCC2)c1ccc(C2CCCN2)s1
InChIInChI=1S/C18H24N4OS/c23-18(17-8-7-16(24-17)15-6-3-10-19-15)20-11-9-14-12-4-1-2-5-13(12)21-22-14/h7-8,15,19H,1-6,9-11H2,(H,20,23)(H,21,22)
InChIKeyBHNVULIJRGRRLC-UHFFFAOYSA-N
XLogP2.75
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide (CID 45225208) is 5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide is O=C(NCCc1n[nH]c2c1CCCC2)c1ccc(C2CCCN2)s1.
What is the InChIKey of 5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is BHNVULIJRGRRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c23-18(17-8-7-16(24-17)15-6-3-10-19-15)20-11-9-14-12-4-1-2-5-13(12)21-22-14/h7-8,15,19H,1-6,9-11H2,(H,20,23)(H,21,22).
What are the key properties of 5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide?
5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 45225208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).