4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

C17H15ClN4OS — CID 11302820

IUPAC4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CC=C(c2ccc(Cl)s2)CC1
InChIInChI=1S/C17H15ClN4OS/c18-15-6-5-14(24-15)11-7-9-22(10-8-11)17(23)19-16-12-3-1-2-4-13(12)20-21-16/h1-7H,8-10H2,(H2,19,20,21,23)
InChIKeyLEOYCIQBEBMBGB-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.60
Rot. Bonds2

About 4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 11302820) has the molecular formula C17H15ClN4OS and a molecular weight of 358.85 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID11302820
Molecular FormulaC17H15ClN4OS
Molecular Weight358.85 g/mol
Exact Mass358.07
IUPAC Name4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CC=C(c2ccc(Cl)s2)CC1
InChIInChI=1S/C17H15ClN4OS/c18-15-6-5-14(24-15)11-7-9-22(10-8-11)17(23)19-16-12-3-1-2-4-13(12)20-21-16/h1-7H,8-10H2,(H2,19,20,21,23)
InChIKeyLEOYCIQBEBMBGB-UHFFFAOYSA-N
XLogP4.60
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 11302820) is 4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CC=C(c2ccc(Cl)s2)CC1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is LEOYCIQBEBMBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4OS/c18-15-6-5-14(24-15)11-7-9-22(10-8-11)17(23)19-16-12-3-1-2-4-13(12)20-21-16/h1-7H,8-10H2,(H2,19,20,21,23).
What are the key properties of 4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 358.85 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-N-(1H-indazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 11302820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).