1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid

C19H19FN6O3 — CID 69187079

IUPAC1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid
SMILESCc1ncc(Nc2cc(F)cc(N3CCOCC3)c2)cc1-n1cc(C(=O)O)nn1
InChIInChI=1S/C19H19FN6O3/c1-12-18(26-11-17(19(27)28)23-24-26)9-15(10-21-12)22-14-6-13(20)7-16(8-14)25-2-4-29-5-3-25/h6-11,22H,2-5H2,1H3,(H,27,28)
InChIKeyYCMLMXGDXJBTPD-UHFFFAOYSA-N
MW398.40 g/mol
LogP2.39
Rot. Bonds5

About 1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid

1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid (PubChem CID 69187079) has the molecular formula C19H19FN6O3 and a molecular weight of 398.40 g/mol. Its IUPAC name is 1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid
PubChem CID69187079
Molecular FormulaC19H19FN6O3
Molecular Weight398.40 g/mol
Exact Mass398.15
IUPAC Name1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid
SMILESCc1ncc(Nc2cc(F)cc(N3CCOCC3)c2)cc1-n1cc(C(=O)O)nn1
InChIInChI=1S/C19H19FN6O3/c1-12-18(26-11-17(19(27)28)23-24-26)9-15(10-21-12)22-14-6-13(20)7-16(8-14)25-2-4-29-5-3-25/h6-11,22H,2-5H2,1H3,(H,27,28)
InChIKeyYCMLMXGDXJBTPD-UHFFFAOYSA-N
XLogP2.39
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-fluoro-N-[5-[4-(methoxymethyl)triazol-1-yl]-6-methyl-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24937200
3-fluoro-N-[6-methyl-5-(4-pyridin-2-yltriazol-1-yl)-3-pyridinyl]-5-morpholin-4-ylbenzamide
CID 24936946
1-[5-[(3-cyano-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N,N-dimethyltriazole-4-carboxamide
CID 24936429
1-[5-(3-fluoro-2-methoxy-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 69186900
1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 69186906
1-[5-[(3-fluoro-2-methoxy-5-morpholin-4-ylbenzoyl)amino]-2-methyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)triazole-4-carboxamide
CID 91567682
N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 47088928
N-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-2-pyrazol-1-ylpropanamide
CID 136553437
N-[6-methyl-5-[4-[5-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]triazol-1-yl]-3-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 70902972
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-methyl-5-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]pyridine-3-carboxamide
CID 45256459
(Z)-3-amino-4-[amino-[5-(3-fluoro-5-morpholin-4-ylphenyl)-2-methyl-3-pyridinyl]amino]but-3-en-2-one
CID 143628373
5-(3-fluoro-5-piperidin-1-ylanilino)-2-methyl-N-[6-(2-methylpropylamino)-3-pyridinyl]pyridine-3-carboxamide
CID 69085054

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid (CID 69187079) is 1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid is Cc1ncc(Nc2cc(F)cc(N3CCOCC3)c2)cc1-n1cc(C(=O)O)nn1.
What is the InChIKey of 1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid?
The InChIKey is YCMLMXGDXJBTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O3/c1-12-18(26-11-17(19(27)28)23-24-26)9-15(10-21-12)22-14-6-13(20)7-16(8-14)25-2-4-29-5-3-25/h6-11,22H,2-5H2,1H3,(H,27,28).
What are the key properties of 1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid?
1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid has a molecular weight of 398.40 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluoro-5-morpholin-4-ylanilino)-2-methyl-3-pyridinyl]triazole-4-carboxylic acid is sourced from PubChem (CID 69187079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).