N-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C23H19FN4O2 — CID 58374605

IUPACN-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(OCc4ccccc4)c(F)c3)n2n1)C1CC1
InChIInChI=1S/C23H19FN4O2/c24-18-13-17(11-12-20(18)30-14-15-5-2-1-3-6-15)19-7-4-8-21-25-23(27-28(19)21)26-22(29)16-9-10-16/h1-8,11-13,16H,9-10,14H2,(H,26,27,29)
InChIKeyYOOYWGYDXVABCG-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.46
Rot. Bonds6

About N-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374605) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374605
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC NameN-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(OCc4ccccc4)c(F)c3)n2n1)C1CC1
InChIInChI=1S/C23H19FN4O2/c24-18-13-17(11-12-20(18)30-14-15-5-2-1-3-6-15)19-7-4-8-21-25-23(27-28(19)21)26-22(29)16-9-10-16/h1-8,11-13,16H,9-10,14H2,(H,26,27,29)
InChIKeyYOOYWGYDXVABCG-UHFFFAOYSA-N
XLogP4.46
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-(2-(4-(2-fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 24895172
Taletrectinib
CID 72202474
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
N,N-Diethyl-(2-(4-(2-(18F)fluoroethoxy)phenyl)-5,7-dimethylpyrazolo(1,5-A)pyrimidine-3-YL)acetamide
CID 23582365
2-(2-(4-(3-fluoropropoxy)phenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-N,N-diethylacetamide
CID 24895170
2-(5,7-diethyl-2-(4-(2-fluoroethoxy)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)-N,N-diethylacetamide
CID 71625548
N-[6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 6539570
5-(4-Ethoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 726942
2-[5,7-dimethyl-2-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]-N,N-diethylacetamide
CID 118731294
N,N-diethyl-2-[2-[4-[(2-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 118731295
N,N-diethyl-2-[2-[4-[(3-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 118731296
N,N-diethyl-2-[2-[4-[(4-fluorophenyl)methoxy]phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 118731297

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374605) is N-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(OCc4ccccc4)c(F)c3)n2n1)C1CC1.
What is the InChIKey of N-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is YOOYWGYDXVABCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-18-13-17(11-12-20(18)30-14-15-5-2-1-3-6-15)19-7-4-8-21-25-23(27-28(19)21)26-22(29)16-9-10-16/h1-8,11-13,16H,9-10,14H2,(H,26,27,29).
What are the key properties of N-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 402.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-fluoro-4-phenylmethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).