N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide

C19H23FN8O3 — CID 57378392

IUPACN-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCN(CCF)c1nc2cc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1
InChIInChI=1S/C19H23FN8O3/c1-25(6-4-20)19-23-15-11-13(3-5-28(15)24-19)22-17(29)16-14(12-21-26(16)2)18(30)27-7-9-31-10-8-27/h3,5,11-12H,4,6-10H2,1-2H3,(H,22,29)
InChIKeyUNWDCRAGVWZLGQ-UHFFFAOYSA-N
MW430.44 g/mol
LogP0.59
Rot. Bonds6

About N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide

N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (PubChem CID 57378392) has the molecular formula C19H23FN8O3 and a molecular weight of 430.44 g/mol. Its IUPAC name is N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
PubChem CID57378392
Molecular FormulaC19H23FN8O3
Molecular Weight430.44 g/mol
Exact Mass430.19
IUPAC NameN-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
SMILESCN(CCF)c1nc2cc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1
InChIInChI=1S/C19H23FN8O3/c1-25(6-4-20)19-23-15-11-13(3-5-28(15)24-19)22-17(29)16-14(12-21-26(16)2)18(30)27-7-9-31-10-8-27/h3,5,11-12H,4,6-10H2,1-2H3,(H,22,29)
InChIKeyUNWDCRAGVWZLGQ-UHFFFAOYSA-N
XLogP0.59
TPSA109.89 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-N-ethyl-5-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 57378492
2-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]ethanone
CID 159826911
4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57377746
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57378287
4-(azetidine-1-carbonyl)-N-[2-(2-hydroxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 158629431
[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]carbamic acid
CID 151005086
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57377957
4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414914
1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 67776711
1-[1-methyl-4-(morpholine-4-carbonyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
CID 157234264
4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
CID 57377301
ethyl 1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 67775033

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide (CID 57378392) is N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide is CN(CCF)c1nc2cc(NC(=O)c3c(C(=O)N4CCOCC4)cnn3C)ccn2n1.
What is the InChIKey of N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
The InChIKey is UNWDCRAGVWZLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN8O3/c1-25(6-4-20)19-23-15-11-13(3-5-28(15)24-19)22-17(29)16-14(12-21-26(16)2)18(30)27-7-9-31-10-8-27/h3,5,11-12H,4,6-10H2,1-2H3,(H,22,29).
What are the key properties of N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide?
N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide has a molecular weight of 430.44 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 57378392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).