5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide

C15H13ClN4O3 — CID 44520845

IUPAC5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cnc(C(O)CO)cn1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H13ClN4O3/c16-9-1-2-10-8(3-9)4-11(19-10)15(23)20-14-6-17-12(5-18-14)13(22)7-21/h1-6,13,19,21-22H,7H2,(H,18,20,23)
InChIKeyHQUHIFJYWDRNKH-UHFFFAOYSA-N
MW332.75 g/mol
LogP1.89
Rot. Bonds4

About 5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide

5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide (PubChem CID 44520845) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is 5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide
PubChem CID44520845
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC Name5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide
SMILESO=C(Nc1cnc(C(O)CO)cn1)c1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H13ClN4O3/c16-9-1-2-10-8(3-9)4-11(19-10)15(23)20-14-6-17-12(5-18-14)13(22)7-21/h1-6,13,19,21-22H,7H2,(H,18,20,23)
InChIKeyHQUHIFJYWDRNKH-UHFFFAOYSA-N
XLogP1.89
TPSA111.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide (CID 44520845) is 5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide is O=C(Nc1cnc(C(O)CO)cn1)c1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide?
The InChIKey is HQUHIFJYWDRNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c16-9-1-2-10-8(3-9)4-11(19-10)15(23)20-14-6-17-12(5-18-14)13(22)7-21/h1-6,13,19,21-22H,7H2,(H,18,20,23).
What are the key properties of 5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide?
5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide has a molecular weight of 332.75 g/mol, XLogP of 1.89, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(1,2-dihydroxyethyl)pyrazin-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 44520845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).