N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide

C17H19FN8O2 — CID 71538685

IUPACN-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide
SMILESCN(C)c1nc2ccc(NC(=O)c3c(C(=O)N4CC(F)C4)cnn3C)cn2n1
InChIInChI=1S/C17H19FN8O2/c1-23(2)17-21-13-5-4-11(9-26(13)22-17)20-15(27)14-12(6-19-24(14)3)16(28)25-7-10(18)8-25/h4-6,9-10H,7-8H2,1-3H3,(H,20,27)
InChIKeyKULIXKMTCPNPQL-UHFFFAOYSA-N
MW386.39 g/mol
LogP0.57
Rot. Bonds4

About N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide

N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide (PubChem CID 71538685) has the molecular formula C17H19FN8O2 and a molecular weight of 386.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide
PubChem CID71538685
Molecular FormulaC17H19FN8O2
Molecular Weight386.39 g/mol
Exact Mass386.16
IUPAC NameN-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide
SMILESCN(C)c1nc2ccc(NC(=O)c3c(C(=O)N4CC(F)C4)cnn3C)cn2n1
InChIInChI=1S/C17H19FN8O2/c1-23(2)17-21-13-5-4-11(9-26(13)22-17)20-15(27)14-12(6-19-24(14)3)16(28)25-7-10(18)8-25/h4-6,9-10H,7-8H2,1-3H3,(H,20,27)
InChIKeyKULIXKMTCPNPQL-UHFFFAOYSA-N
XLogP0.57
TPSA100.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide (CID 71538685) is N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide is CN(C)c1nc2ccc(NC(=O)c3c(C(=O)N4CC(F)C4)cnn3C)cn2n1.
What is the InChIKey of N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide?
The InChIKey is KULIXKMTCPNPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN8O2/c1-23(2)17-21-13-5-4-11(9-26(13)22-17)20-15(27)14-12(6-19-24(14)3)16(28)25-7-10(18)8-25/h4-6,9-10H,7-8H2,1-3H3,(H,20,27).
What are the key properties of N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide?
N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide has a molecular weight of 386.39 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4-(3-fluoroazetidine-1-carbonyl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 71538685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).