5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide

C19H15FN6O — CID 70814585

IUPAC5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide
SMILESCc1nc(NC(=O)c2cc3cc(F)ccc3n2C)nc(-c2ccccn2)n1
InChIInChI=1S/C19H15FN6O/c1-11-22-17(14-5-3-4-8-21-14)24-19(23-11)25-18(27)16-10-12-9-13(20)6-7-15(12)26(16)2/h3-10H,1-2H3,(H,22,23,24,25,27)
InChIKeyMPINFXNTTCEYCC-UHFFFAOYSA-N
MW362.37 g/mol
LogP3.13
Rot. Bonds3

About 5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide

5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide (PubChem CID 70814585) has the molecular formula C19H15FN6O and a molecular weight of 362.37 g/mol. Its IUPAC name is 5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide
PubChem CID70814585
Molecular FormulaC19H15FN6O
Molecular Weight362.37 g/mol
Exact Mass362.13
IUPAC Name5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide
SMILESCc1nc(NC(=O)c2cc3cc(F)ccc3n2C)nc(-c2ccccn2)n1
InChIInChI=1S/C19H15FN6O/c1-11-22-17(14-5-3-4-8-21-14)24-19(23-11)25-18(27)16-10-12-9-13(20)6-7-15(12)26(16)2/h3-10H,1-2H3,(H,22,23,24,25,27)
InChIKeyMPINFXNTTCEYCC-UHFFFAOYSA-N
XLogP3.13
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide?
The IUPAC name of 5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide (CID 70814585) is 5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide.
What is the SMILES notation for 5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide?
The canonical SMILES for 5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide is Cc1nc(NC(=O)c2cc3cc(F)ccc3n2C)nc(-c2ccccn2)n1.
What is the InChIKey of 5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide?
The InChIKey is MPINFXNTTCEYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O/c1-11-22-17(14-5-3-4-8-21-14)24-19(23-11)25-18(27)16-10-12-9-13(20)6-7-15(12)26(16)2/h3-10H,1-2H3,(H,22,23,24,25,27).
What are the key properties of 5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide?
5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide has a molecular weight of 362.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-N-(4-methyl-6-pyridin-2-yl-1,3,5-triazin-2-yl)indole-2-carboxamide is sourced from PubChem (CID 70814585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).