N-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide

C30H28FN7O2 — CID 54772178

IUPACN-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
SMILESCc1nc(N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C30H28FN7O2/c1-20-26(11-13-27(33-20)37-14-16-40-17-15-37)34-30-35-28-12-8-24(19-38(28)36-30)22-4-6-23(7-5-22)29(39)32-18-21-2-9-25(31)10-3-21/h2-13,19H,14-18H2,1H3,(H,32,39)(H,34,36)
InChIKeyFAXKBJOVYVCYAT-UHFFFAOYSA-N
MW537.60 g/mol
LogP4.75
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide

N-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide (PubChem CID 54772178) has the molecular formula C30H28FN7O2 and a molecular weight of 537.60 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
PubChem CID54772178
Molecular FormulaC30H28FN7O2
Molecular Weight537.60 g/mol
Exact Mass537.23
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
SMILESCc1nc(N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C30H28FN7O2/c1-20-26(11-13-27(33-20)37-14-16-40-17-15-37)34-30-35-28-12-8-24(19-38(28)36-30)22-4-6-23(7-5-22)29(39)32-18-21-2-9-25(31)10-3-21/h2-13,19H,14-18H2,1H3,(H,32,39)(H,34,36)
InChIKeyFAXKBJOVYVCYAT-UHFFFAOYSA-N
XLogP4.75
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.60
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide (CID 54772178) is N-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide is Cc1nc(N2CCOCC2)ccc1Nc1nc2ccc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)cn2n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
The InChIKey is FAXKBJOVYVCYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN7O2/c1-20-26(11-13-27(33-20)37-14-16-40-17-15-37)34-30-35-28-12-8-24(19-38(28)36-30)22-4-6-23(7-5-22)29(39)32-18-21-2-9-25(31)10-3-21/h2-13,19H,14-18H2,1H3,(H,32,39)(H,34,36).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide?
N-[(4-fluorophenyl)methyl]-4-[2-[(2-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide has a molecular weight of 537.60 g/mol, XLogP of 4.75, 7 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-methyl-6-morpholin-4-yl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 54772178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).