N-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C29H25FN6O3 — CID 58374781

IUPACN-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(c5noc6cc(F)ccc56)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C29H25FN6O3/c30-21-10-11-22-24(16-21)39-34-26(22)18-12-14-35(15-13-18)28(38)20-8-4-17(5-9-20)23-2-1-3-25-31-29(33-36(23)25)32-27(37)19-6-7-19/h1-5,8-11,16,18-19H,6-7,12-15H2,(H,32,33,37)
InChIKeyKZUNMPLKOXVMCL-UHFFFAOYSA-N
MW524.56 g/mol
LogP5.04
Rot. Bonds5

About N-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374781) has the molecular formula C29H25FN6O3 and a molecular weight of 524.56 g/mol. Its IUPAC name is N-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374781
Molecular FormulaC29H25FN6O3
Molecular Weight524.56 g/mol
Exact Mass524.20
IUPAC NameN-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(c5noc6cc(F)ccc56)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C29H25FN6O3/c30-21-10-11-22-24(16-21)39-34-26(22)18-12-14-35(15-13-18)28(38)20-8-4-17(5-9-20)23-2-1-3-25-31-29(33-36(23)25)32-27(37)19-6-7-19/h1-5,8-11,16,18-19H,6-7,12-15H2,(H,32,33,37)
InChIKeyKZUNMPLKOXVMCL-UHFFFAOYSA-N
XLogP5.04
TPSA105.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.56
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374781) is N-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(c5noc6cc(F)ccc56)CC4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is KZUNMPLKOXVMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN6O3/c30-21-10-11-22-24(16-21)39-34-26(22)18-12-14-35(15-13-18)28(38)20-8-4-17(5-9-20)23-2-1-3-25-31-29(33-36(23)25)32-27(37)19-6-7-19/h1-5,8-11,16,18-19H,6-7,12-15H2,(H,32,33,37).
What are the key properties of N-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 524.56 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carbonyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).