N-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C26H26N8O2 — CID 67357037

IUPACN-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(CCn1cccn1)(Oc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)n1cccn1
InChIInChI=1S/C26H26N8O2/c1-26(33-17-4-15-28-33,13-18-32-16-3-14-27-32)36-21-11-9-19(10-12-21)22-5-2-6-23-29-25(31-34(22)23)30-24(35)20-7-8-20/h2-6,9-12,14-17,20H,7-8,13,18H2,1H3,(H,30,31,35)
InChIKeyPBJZRULCCGYVTG-UHFFFAOYSA-N
MW482.55 g/mol
LogP3.98
Rot. Bonds9

About N-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 67357037) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is N-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID67357037
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC NameN-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCC(CCn1cccn1)(Oc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)n1cccn1
InChIInChI=1S/C26H26N8O2/c1-26(33-17-4-15-28-33,13-18-32-16-3-14-27-32)36-21-11-9-19(10-12-21)22-5-2-6-23-29-25(31-34(22)23)30-24(35)20-7-8-20/h2-6,9-12,14-17,20H,7-8,13,18H2,1H3,(H,30,31,35)
InChIKeyPBJZRULCCGYVTG-UHFFFAOYSA-N
XLogP3.98
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 67357037) is N-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CC(CCn1cccn1)(Oc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)n1cccn1.
What is the InChIKey of N-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is PBJZRULCCGYVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c1-26(33-17-4-15-28-33,13-18-32-16-3-14-27-32)36-21-11-9-19(10-12-21)22-5-2-6-23-29-25(31-34(22)23)30-24(35)20-7-8-20/h2-6,9-12,14-17,20H,7-8,13,18H2,1H3,(H,30,31,35).
What are the key properties of N-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 482.55 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[2,4-di(pyrazol-1-yl)butan-2-yloxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67357037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).