N-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C28H27N5O3 — CID 67329130

IUPACN-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(O)(c5ccccc5)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C28H27N5O3/c34-25(20-11-12-20)30-27-29-24-8-4-7-23(33(24)31-27)19-9-13-21(14-10-19)26(35)32-17-15-28(36,16-18-32)22-5-2-1-3-6-22/h1-10,13-14,20,36H,11-12,15-18H2,(H,30,31,34)
InChIKeyCDYQPUASBFZTSZ-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.87
Rot. Bonds5

About N-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 67329130) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID67329130
Molecular FormulaC28H27N5O3
Molecular Weight481.56 g/mol
Exact Mass481.21
IUPAC NameN-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(O)(c5ccccc5)CC4)cc3)n2n1)C1CC1
InChIInChI=1S/C28H27N5O3/c34-25(20-11-12-20)30-27-29-24-8-4-7-23(33(24)31-27)19-9-13-21(14-10-19)26(35)32-17-15-28(36,16-18-32)22-5-2-1-3-6-22/h1-10,13-14,20,36H,11-12,15-18H2,(H,30,31,34)
InChIKeyCDYQPUASBFZTSZ-UHFFFAOYSA-N
XLogP3.87
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 67329130) is N-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCC(O)(c5ccccc5)CC4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is CDYQPUASBFZTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c34-25(20-11-12-20)30-27-29-24-8-4-7-23(33(24)31-27)19-9-13-21(14-10-19)26(35)32-17-15-28(36,16-18-32)22-5-2-1-3-6-22/h1-10,13-14,20,36H,11-12,15-18H2,(H,30,31,34).
What are the key properties of N-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 481.56 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-hydroxy-4-phenylpiperidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67329130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).