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

C26H26N8O2 — CID 67357042

IUPACN-[5-[4-[1,4-di(pyrazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(OC(CCCn4cccn4)n4cccn4)cc3)n2n1)C1CC1
InChIInChI=1S/C26H26N8O2/c35-25(20-8-9-20)30-26-29-23-6-1-5-22(34(23)31-26)19-10-12-21(13-11-19)36-24(33-18-4-15-28-33)7-2-16-32-17-3-14-27-32/h1,3-6,10-15,17-18,20,24H,2,7-9,16H2,(H,30,31,35)
InChIKeyUFFMENNYLIWZEW-UHFFFAOYSA-N
MW482.55 g/mol
LogP4.20
Rot. Bonds10

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

N-[5-[4-[1,4-di(pyrazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 67357042) has the molecular formula C26H26N8O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is N-[5-[4-[1,4-di(pyrazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[1,4-di(pyrazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID67357042
Molecular FormulaC26H26N8O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC NameN-[5-[4-[1,4-di(pyrazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(OC(CCCn4cccn4)n4cccn4)cc3)n2n1)C1CC1
InChIInChI=1S/C26H26N8O2/c35-25(20-8-9-20)30-26-29-23-6-1-5-22(34(23)31-26)19-10-12-21(13-11-19)36-24(33-18-4-15-28-33)7-2-16-32-17-3-14-27-32/h1,3-6,10-15,17-18,20,24H,2,7-9,16H2,(H,30,31,35)
InChIKeyUFFMENNYLIWZEW-UHFFFAOYSA-N
XLogP4.20
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[1,4-di(pyrazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[1,4-di(pyrazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 67357042) is N-[5-[4-[1,4-di(pyrazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[1,4-di(pyrazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[1,4-di(pyrazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(OC(CCCn4cccn4)n4cccn4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[1,4-di(pyrazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is UFFMENNYLIWZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O2/c35-25(20-8-9-20)30-26-29-23-6-1-5-22(34(23)31-26)19-10-12-21(13-11-19)36-24(33-18-4-15-28-33)7-2-16-32-17-3-14-27-32/h1,3-6,10-15,17-18,20,24H,2,7-9,16H2,(H,30,31,35).
What are the key properties of N-[5-[4-[1,4-di(pyrazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[1,4-di(pyrazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 482.55 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[1,4-di(pyrazol-1-yl)butoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67357042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).