N-[5-[2-cyano-5-[3-(hydroxymethyl)cyclobutyl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C22H21N5O3 — CID 164605398

About N-[5-[2-cyano-5-[3-(hydroxymethyl)cyclobutyl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[2-cyano-5-[3-(hydroxymethyl)cyclobutyl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 164605398) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[5-[2-cyano-5-[3-(hydroxymethyl)cyclobutyl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[2-cyano-5-[3-(hydroxymethyl)cyclobutyl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 164605398
• Molecular Formula: C22H21N5O3
• Molecular Weight: 403.44 g/mol
• Exact Mass: 403.16
• IUPAC Name: N-[5-[2-cyano-5-[3-(hydroxymethyl)cyclobutyl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: N#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OC2CC(CO)C2)cn1
• InChI: InChI=1S/C22H21N5O3/c23-10-16-8-19(20(11-24-16)30-18-5-13(6-18)12-28)15-3-4-27-17(7-15)9-21(26-27)25-22(29)14-1-2-14/h3-4,7-9,11,13-14,18,28H,1-2,5-6,12H2,(H,25,26,29)
• InChIKey: GDEXPXNZRPMXAQ-UHFFFAOYSA-N
• XLogP: 2.77
• TPSA: 112.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.44
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-cyano-5-[3-(hydroxymethyl)cyclobutyl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[2-cyano-5-[3-(hydroxymethyl)cyclobutyl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 164605398) is N-[5-[2-cyano-5-[3-(hydroxymethyl)cyclobutyl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[2-cyano-5-[3-(hydroxymethyl)cyclobutyl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[2-cyano-5-[3-(hydroxymethyl)cyclobutyl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is N#Cc1cc(-c2ccn3nc(NC(=O)C4CC4)cc3c2)c(OC2CC(CO)C2)cn1.

What is the InChIKey of N-[5-[2-cyano-5-[3-(hydroxymethyl)cyclobutyl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is GDEXPXNZRPMXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c23-10-16-8-19(20(11-24-16)30-18-5-13(6-18)12-28)15-3-4-27-17(7-15)9-21(26-27)25-22(29)14-1-2-14/h3-4,7-9,11,13-14,18,28H,1-2,5-6,12H2,(H,25,26,29).

What are the key properties of N-[5-[2-cyano-5-[3-(hydroxymethyl)cyclobutyl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

N-[5-[2-cyano-5-[3-(hydroxymethyl)cyclobutyl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-cyano-5-[3-(hydroxymethyl)cyclobutyl]oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164605398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).