5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide

C19H15ClN6O — CID 46635955

IUPAC5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H15ClN6O/c20-13-4-7-16-12(8-13)10-17(22-16)19(27)21-14-3-1-2-11(9-14)18-23-24-25-26(18)15-5-6-15/h1-4,7-10,15,22H,5-6H2,(H,21,27)
InChIKeyVQTKOGNGXIPHFC-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.06
Rot. Bonds4

About 5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide

5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide (PubChem CID 46635955) has the molecular formula C19H15ClN6O and a molecular weight of 378.82 g/mol. Its IUPAC name is 5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide
PubChem CID46635955
Molecular FormulaC19H15ClN6O
Molecular Weight378.82 g/mol
Exact Mass378.10
IUPAC Name5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C19H15ClN6O/c20-13-4-7-16-12(8-13)10-17(22-16)19(27)21-14-3-1-2-11(9-14)18-23-24-25-26(18)15-5-6-15/h1-4,7-10,15,22H,5-6H2,(H,21,27)
InChIKeyVQTKOGNGXIPHFC-UHFFFAOYSA-N
XLogP4.06
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide (CID 46635955) is 5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide is O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide?
The InChIKey is VQTKOGNGXIPHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN6O/c20-13-4-7-16-12(8-13)10-17(22-16)19(27)21-14-3-1-2-11(9-14)18-23-24-25-26(18)15-5-6-15/h1-4,7-10,15,22H,5-6H2,(H,21,27).
What are the key properties of 5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide?
5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide has a molecular weight of 378.82 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 46635955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).