7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile

C22H26N6O — CID 45485175

IUPAC7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCC3CCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C22H26N6O/c1-3-29-18-6-4-17(5-7-18)27-22-15(2)21(25-14-16-8-10-24-13-16)19(12-23)20-9-11-26-28(20)22/h4-7,9,11,16,24-25,27H,3,8,10,13-14H2,1-2H3
InChIKeyQYALDGAIWALYFY-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.68
Rot. Bonds7

About 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile

7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485175) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485175
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(NCC3CCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C22H26N6O/c1-3-29-18-6-4-17(5-7-18)27-22-15(2)21(25-14-16-8-10-24-13-16)19(12-23)20-9-11-26-28(20)22/h4-7,9,11,16,24-25,27H,3,8,10,13-14H2,1-2H3
InChIKeyQYALDGAIWALYFY-UHFFFAOYSA-N
XLogP3.68
TPSA86.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485175) is 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C)c(NCC3CCNC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is QYALDGAIWALYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-3-29-18-6-4-17(5-7-18)27-22-15(2)21(25-14-16-8-10-24-13-16)19(12-23)20-9-11-26-28(20)22/h4-7,9,11,16,24-25,27H,3,8,10,13-14H2,1-2H3.
What are the key properties of 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 390.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethoxyanilino)-6-methyl-5-(pyrrolidin-3-ylmethylamino)pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).