4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide

C28H28FN5O3 — CID 58374788

IUPAC4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)N(Cc1ccc(F)cc1)C(=O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C28H28FN5O3/c1-18(17-37-2)33(16-19-6-14-23(29)15-7-19)27(36)22-12-8-20(9-13-22)24-4-3-5-25-30-28(32-34(24)25)31-26(35)21-10-11-21/h3-9,12-15,18,21H,10-11,16-17H2,1-2H3,(H,31,32,35)
InChIKeyXACLFRPZJCMPCH-UHFFFAOYSA-N
MW501.56 g/mol
LogP4.56
Rot. Bonds9

About 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 58374788) has the molecular formula C28H28FN5O3 and a molecular weight of 501.56 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide
PubChem CID58374788
Molecular FormulaC28H28FN5O3
Molecular Weight501.56 g/mol
Exact Mass501.22
IUPAC Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide
SMILESCOCC(C)N(Cc1ccc(F)cc1)C(=O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
InChIInChI=1S/C28H28FN5O3/c1-18(17-37-2)33(16-19-6-14-23(29)15-7-19)27(36)22-12-8-20(9-13-22)24-4-3-5-25-30-28(32-34(24)25)31-26(35)21-10-11-21/h3-9,12-15,18,21H,10-11,16-17H2,1-2H3,(H,31,32,35)
InChIKeyXACLFRPZJCMPCH-UHFFFAOYSA-N
XLogP4.56
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide (CID 58374788) is 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide is COCC(C)N(Cc1ccc(F)cc1)C(=O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is XACLFRPZJCMPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN5O3/c1-18(17-37-2)33(16-19-6-14-23(29)15-7-19)27(36)22-12-8-20(9-13-22)24-4-3-5-25-30-28(32-34(24)25)31-26(35)21-10-11-21/h3-9,12-15,18,21H,10-11,16-17H2,1-2H3,(H,31,32,35).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide?
4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 501.56 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-N-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 58374788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).