7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide

C14H10FN7O — CID 170555357

IUPAC7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESO=C(NCc1nn[nH]n1)c1nccc2c1[nH]c1cc(F)ccc12
InChIInChI=1S/C14H10FN7O/c15-7-1-2-8-9-3-4-16-13(12(9)18-10(8)5-7)14(23)17-6-11-19-21-22-20-11/h1-5,18H,6H2,(H,17,23)(H,19,20,21,22)
InChIKeyCCEMRQVQIGIMAU-UHFFFAOYSA-N
MW311.28 g/mol
LogP1.30
Rot. Bonds3

About 7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide

7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 170555357) has the molecular formula C14H10FN7O and a molecular weight of 311.28 g/mol. Its IUPAC name is 7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID170555357
Molecular FormulaC14H10FN7O
Molecular Weight311.28 g/mol
Exact Mass311.09
IUPAC Name7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESO=C(NCc1nn[nH]n1)c1nccc2c1[nH]c1cc(F)ccc12
InChIInChI=1S/C14H10FN7O/c15-7-1-2-8-9-3-4-16-13(12(9)18-10(8)5-7)14(23)17-6-11-19-21-22-20-11/h1-5,18H,6H2,(H,17,23)(H,19,20,21,22)
InChIKeyCCEMRQVQIGIMAU-UHFFFAOYSA-N
XLogP1.30
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of 7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide (CID 170555357) is 7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for 7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for 7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide is O=C(NCc1nn[nH]n1)c1nccc2c1[nH]c1cc(F)ccc12.
What is the InChIKey of 7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is CCEMRQVQIGIMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN7O/c15-7-1-2-8-9-3-4-16-13(12(9)18-10(8)5-7)14(23)17-6-11-19-21-22-20-11/h1-5,18H,6H2,(H,17,23)(H,19,20,21,22).
What are the key properties of 7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 311.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(2H-tetrazol-5-ylmethyl)-9H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 170555357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).