7-(4-ethoxyanilino)-6-methyl-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile

C22H26N6O — CID 11852873

IUPAC7-(4-ethoxyanilino)-6-methyl-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C22H26N6O/c1-3-29-18-8-6-16(7-9-18)27-22-15(2)21(26-17-5-4-11-24-14-17)19(13-23)20-10-12-25-28(20)22/h6-10,12,17,24,26-27H,3-5,11,14H2,1-2H3/t17-/m0/s1
InChIKeyDKSNJVHSUJOOAM-KRWDZBQOSA-N
MW390.49 g/mol
LogP3.82
Rot. Bonds6

About 7-(4-ethoxyanilino)-6-methyl-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile

7-(4-ethoxyanilino)-6-methyl-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 11852873) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 7-(4-ethoxyanilino)-6-methyl-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-(4-ethoxyanilino)-6-methyl-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID11852873
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name7-(4-ethoxyanilino)-6-methyl-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C22H26N6O/c1-3-29-18-8-6-16(7-9-18)27-22-15(2)21(26-17-5-4-11-24-14-17)19(13-23)20-10-12-25-28(20)22/h6-10,12,17,24,26-27H,3-5,11,14H2,1-2H3/t17-/m0/s1
InChIKeyDKSNJVHSUJOOAM-KRWDZBQOSA-N
XLogP3.82
TPSA86.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.82
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-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-(4-ethoxyanilino)-6-methyl-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 11852873) is 7-(4-ethoxyanilino)-6-methyl-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-(4-ethoxyanilino)-6-methyl-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-(4-ethoxyanilino)-6-methyl-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C)c(N[C@H]3CCCNC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 7-(4-ethoxyanilino)-6-methyl-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is DKSNJVHSUJOOAM-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H26N6O/c1-3-29-18-8-6-16(7-9-18)27-22-15(2)21(26-17-5-4-11-24-14-17)19(13-23)20-10-12-25-28(20)22/h6-10,12,17,24,26-27H,3-5,11,14H2,1-2H3/t17-/m0/s1.
What are the key properties of 7-(4-ethoxyanilino)-6-methyl-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-(4-ethoxyanilino)-6-methyl-5-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 390.49 g/mol, XLogP of 3.82, 6 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-[[(3S)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 11852873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).