N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide

C24H24FN7O — CID 172533367

IUPACN-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide
SMILESCc1cc(F)cc2ccnc(N(C(=O)c3ccc(-c4cn(C)nn4)cn3)C3CCCNC3)c12
InChIInChI=1S/C24H24FN7O/c1-15-10-18(25)11-16-7-9-27-23(22(15)16)32(19-4-3-8-26-13-19)24(33)20-6-5-17(12-28-20)21-14-31(2)30-29-21/h5-7,9-12,14,19,26H,3-4,8,13H2,1-2H3
InChIKeyLSMAYELCEIPSLM-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.27
Rot. Bonds4

About N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide

N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide (PubChem CID 172533367) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide
PubChem CID172533367
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC NameN-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide
SMILESCc1cc(F)cc2ccnc(N(C(=O)c3ccc(-c4cn(C)nn4)cn3)C3CCCNC3)c12
InChIInChI=1S/C24H24FN7O/c1-15-10-18(25)11-16-7-9-27-23(22(15)16)32(19-4-3-8-26-13-19)24(33)20-6-5-17(12-28-20)21-14-31(2)30-29-21/h5-7,9-12,14,19,26H,3-4,8,13H2,1-2H3
InChIKeyLSMAYELCEIPSLM-UHFFFAOYSA-N
XLogP3.27
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide?
The IUPAC name of N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide (CID 172533367) is N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide?
The canonical SMILES for N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide is Cc1cc(F)cc2ccnc(N(C(=O)c3ccc(-c4cn(C)nn4)cn3)C3CCCNC3)c12.
What is the InChIKey of N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide?
The InChIKey is LSMAYELCEIPSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-15-10-18(25)11-16-7-9-27-23(22(15)16)32(19-4-3-8-26-13-19)24(33)20-6-5-17(12-28-20)21-14-31(2)30-29-21/h5-7,9-12,14,19,26H,3-4,8,13H2,1-2H3.
What are the key properties of N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide?
N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide has a molecular weight of 445.50 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-8-methylisoquinolin-1-yl)-5-(1-methyltriazol-4-yl)-N-piperidin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 172533367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).