N-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C25H21N7O2 — CID 58374751

IUPACN-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(OCc4ccc(-c5cn[nH]c5)nc4)cc3)n2n1)C1CC1
InChIInChI=1S/C25H21N7O2/c33-24(18-5-6-18)30-25-29-23-3-1-2-22(32(23)31-25)17-7-9-20(10-8-17)34-15-16-4-11-21(26-12-16)19-13-27-28-14-19/h1-4,7-14,18H,5-6,15H2,(H,27,28)(H,30,31,33)
InChIKeyFRTKOYFNBJAQKB-UHFFFAOYSA-N
MW451.49 g/mol
LogP4.11
Rot. Bonds7

About N-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374751) has the molecular formula C25H21N7O2 and a molecular weight of 451.49 g/mol. Its IUPAC name is N-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374751
Molecular FormulaC25H21N7O2
Molecular Weight451.49 g/mol
Exact Mass451.18
IUPAC NameN-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3ccc(OCc4ccc(-c5cn[nH]c5)nc4)cc3)n2n1)C1CC1
InChIInChI=1S/C25H21N7O2/c33-24(18-5-6-18)30-25-29-23-3-1-2-22(32(23)31-25)17-7-9-20(10-8-17)34-15-16-4-11-21(26-12-16)19-13-27-28-14-19/h1-4,7-14,18H,5-6,15H2,(H,27,28)(H,30,31,33)
InChIKeyFRTKOYFNBJAQKB-UHFFFAOYSA-N
XLogP4.11
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374751) is N-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(-c5cn[nH]c5)nc4)cc3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is FRTKOYFNBJAQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O2/c33-24(18-5-6-18)30-25-29-23-3-1-2-22(32(23)31-25)17-7-9-20(10-8-17)34-15-16-4-11-21(26-12-16)19-13-27-28-14-19/h1-4,7-14,18H,5-6,15H2,(H,27,28)(H,30,31,33).
What are the key properties of N-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 451.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[6-(1H-pyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).