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

C21H20N6O2 — CID 164605307

IUPACN-[5-[2-cyano-5-(1-methylazetidin-3-yl)oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCN1CC(Oc2cnc(C#N)cc2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1
InChIInChI=1S/C21H20N6O2/c1-26-11-17(12-26)29-19-10-23-15(9-22)7-18(19)14-4-5-27-16(6-14)8-20(25-27)24-21(28)13-2-3-13/h4-8,10,13,17H,2-3,11-12H2,1H3,(H,24,25,28)
InChIKeyOYDTWNVVTPPDDO-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.31
Rot. Bonds5

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

N-[5-[2-cyano-5-(1-methylazetidin-3-yl)oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 164605307) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[5-[2-cyano-5-(1-methylazetidin-3-yl)oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[2-cyano-5-(1-methylazetidin-3-yl)oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID164605307
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[5-[2-cyano-5-(1-methylazetidin-3-yl)oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCN1CC(Oc2cnc(C#N)cc2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1
InChIInChI=1S/C21H20N6O2/c1-26-11-17(12-26)29-19-10-23-15(9-22)7-18(19)14-4-5-27-16(6-14)8-20(25-27)24-21(28)13-2-3-13/h4-8,10,13,17H,2-3,11-12H2,1H3,(H,24,25,28)
InChIKeyOYDTWNVVTPPDDO-UHFFFAOYSA-N
XLogP2.31
TPSA95.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-cyano-5-(1-methylazetidin-3-yl)oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[2-cyano-5-(1-methylazetidin-3-yl)oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 164605307) is N-[5-[2-cyano-5-(1-methylazetidin-3-yl)oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[2-cyano-5-(1-methylazetidin-3-yl)oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[2-cyano-5-(1-methylazetidin-3-yl)oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CN1CC(Oc2cnc(C#N)cc2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1.
What is the InChIKey of N-[5-[2-cyano-5-(1-methylazetidin-3-yl)oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is OYDTWNVVTPPDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-26-11-17(12-26)29-19-10-23-15(9-22)7-18(19)14-4-5-27-16(6-14)8-20(25-27)24-21(28)13-2-3-13/h4-8,10,13,17H,2-3,11-12H2,1H3,(H,24,25,28).
What are the key properties of N-[5-[2-cyano-5-(1-methylazetidin-3-yl)oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[2-cyano-5-(1-methylazetidin-3-yl)oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-cyano-5-(1-methylazetidin-3-yl)oxy-4-pyridinyl]pyrazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 164605307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).