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

C32H29FN6O4 — CID 54769037

IUPACN-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C32H29FN6O4/c1-42-28-18-24(31(41)38-14-16-43-17-15-38)8-12-27(28)35-32-36-29-13-9-25(20-39(29)37-32)22-4-6-23(7-5-22)30(40)34-19-21-2-10-26(33)11-3-21/h2-13,18,20H,14-17,19H2,1H3,(H,34,40)(H,35,37)
InChIKeyCYLMLOFGYQEPCB-UHFFFAOYSA-N
MW580.62 g/mol
LogP4.69
Rot. Bonds8

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

N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide (PubChem CID 54769037) has the molecular formula C32H29FN6O4 and a molecular weight of 580.62 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
PubChem CID54769037
Molecular FormulaC32H29FN6O4
Molecular Weight580.62 g/mol
Exact Mass580.22
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
SMILESCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C32H29FN6O4/c1-42-28-18-24(31(41)38-14-16-43-17-15-38)8-12-27(28)35-32-36-29-13-9-25(20-39(29)37-32)22-4-6-23(7-5-22)30(40)34-19-21-2-10-26(33)11-3-21/h2-13,18,20H,14-17,19H2,1H3,(H,34,40)(H,35,37)
InChIKeyCYLMLOFGYQEPCB-UHFFFAOYSA-N
XLogP4.69
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.62
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide (CID 54769037) is N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide is COc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)cn2n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The InChIKey is CYLMLOFGYQEPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN6O4/c1-42-28-18-24(31(41)38-14-16-43-17-15-38)8-12-27(28)35-32-36-29-13-9-25(20-39(29)37-32)22-4-6-23(7-5-22)30(40)34-19-21-2-10-26(33)11-3-21/h2-13,18,20H,14-17,19H2,1H3,(H,34,40)(H,35,37).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide has a molecular weight of 580.62 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[2-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 54769037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).