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

C19H16N6O — CID 44626181

IUPACN-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(-c4cn[nH]c4)cc3)n2n1)C1CC1
InChIInChI=1S/C19H16N6O/c26-18(14-8-9-14)23-19-22-17-3-1-2-16(25(17)24-19)13-6-4-12(5-7-13)15-10-20-21-11-15/h1-7,10-11,14H,8-9H2,(H,20,21)(H,23,24,26)
InChIKeyYLRZMSJMPHXSDM-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.13
Rot. Bonds4

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

N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 44626181) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID44626181
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(-c4cn[nH]c4)cc3)n2n1)C1CC1
InChIInChI=1S/C19H16N6O/c26-18(14-8-9-14)23-19-22-17-3-1-2-16(25(17)24-19)13-6-4-12(5-7-13)15-10-20-21-11-15/h1-7,10-11,14H,8-9H2,(H,20,21)(H,23,24,26)
InChIKeyYLRZMSJMPHXSDM-UHFFFAOYSA-N
XLogP3.13
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 44626181) is N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(-c4cn[nH]c4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is YLRZMSJMPHXSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c26-18(14-8-9-14)23-19-22-17-3-1-2-16(25(17)24-19)13-6-4-12(5-7-13)15-10-20-21-11-15/h1-7,10-11,14H,8-9H2,(H,20,21)(H,23,24,26).
What are the key properties of N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 44626181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).