2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

C32H29FN6O3 — CID 54770580

IUPAC2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C32H29FN6O3/c1-21-18-24(31(41)38-14-16-42-17-15-38)6-12-28(21)35-32-36-29-13-7-25(20-39(29)37-32)23-4-10-27(11-5-23)34-30(40)19-22-2-8-26(33)9-3-22/h2-13,18,20H,14-17,19H2,1H3,(H,34,40)(H,35,37)
InChIKeyIRADUAKOYNGWBG-UHFFFAOYSA-N
MW564.62 g/mol
LogP5.24
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (PubChem CID 54770580) has the molecular formula C32H29FN6O3 and a molecular weight of 564.62 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
PubChem CID54770580
Molecular FormulaC32H29FN6O3
Molecular Weight564.62 g/mol
Exact Mass564.23
IUPAC Name2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C32H29FN6O3/c1-21-18-24(31(41)38-14-16-42-17-15-38)6-12-28(21)35-32-36-29-13-7-25(20-39(29)37-32)23-4-10-27(11-5-23)34-30(40)19-22-2-8-26(33)9-3-22/h2-13,18,20H,14-17,19H2,1H3,(H,34,40)(H,35,37)
InChIKeyIRADUAKOYNGWBG-UHFFFAOYSA-N
XLogP5.24
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.62
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (CID 54770580) is 2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is Cc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(NC(=O)Cc4ccc(F)cc4)cc3)cn2n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The InChIKey is IRADUAKOYNGWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN6O3/c1-21-18-24(31(41)38-14-16-42-17-15-38)6-12-28(21)35-32-36-29-13-7-25(20-39(29)37-32)23-4-10-27(11-5-23)34-30(40)19-22-2-8-26(33)9-3-22/h2-13,18,20H,14-17,19H2,1H3,(H,34,40)(H,35,37).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide has a molecular weight of 564.62 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[2-[2-methyl-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 54770580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).