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

C26H23N7O2 — CID 58374846

IUPACN-[5-[4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCn1cc(-c2ccc(COc3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)cn2)cn1
InChIInChI=1S/C26H23N7O2/c1-32-15-20(14-28-32)22-12-5-17(13-27-22)16-35-21-10-8-18(9-11-21)23-3-2-4-24-29-26(31-33(23)24)30-25(34)19-6-7-19/h2-5,8-15,19H,6-7,16H2,1H3,(H,30,31,34)
InChIKeyGQRUCKFZRZGNBX-UHFFFAOYSA-N
MW465.52 g/mol
LogP4.12
Rot. Bonds7

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

N-[5-[4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374846) has the molecular formula C26H23N7O2 and a molecular weight of 465.52 g/mol. Its IUPAC name is N-[5-[4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374846
Molecular FormulaC26H23N7O2
Molecular Weight465.52 g/mol
Exact Mass465.19
IUPAC NameN-[5-[4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCn1cc(-c2ccc(COc3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)cn2)cn1
InChIInChI=1S/C26H23N7O2/c1-32-15-20(14-28-32)22-12-5-17(13-27-22)16-35-21-10-8-18(9-11-21)23-3-2-4-24-29-26(31-33(23)24)30-25(34)19-6-7-19/h2-5,8-15,19H,6-7,16H2,1H3,(H,30,31,34)
InChIKeyGQRUCKFZRZGNBX-UHFFFAOYSA-N
XLogP4.12
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-[[6-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374846) is N-[5-[4-[[6-(1-methylpyrazol-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-(1-methylpyrazol-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-(1-methylpyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is Cn1cc(-c2ccc(COc3ccc(-c4cccc5nc(NC(=O)C6CC6)nn45)cc3)cn2)cn1.
What is the InChIKey of N-[5-[4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is GQRUCKFZRZGNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O2/c1-32-15-20(14-28-32)22-12-5-17(13-27-22)16-35-21-10-8-18(9-11-21)23-3-2-4-24-29-26(31-33(23)24)30-25(34)19-6-7-19/h2-5,8-15,19H,6-7,16H2,1H3,(H,30,31,34).
What are the key properties of N-[5-[4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 465.52 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methoxy]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).