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

C24H28N6O — CID 45485198

IUPAC6-cyclopropyl-7-(4-ethoxyanilino)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C3CC3)c(N[C@@H]3CCCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C24H28N6O/c1-2-31-19-9-7-17(8-10-19)29-24-22(16-5-6-16)23(28-18-4-3-12-26-15-18)20(14-25)21-11-13-27-30(21)24/h7-11,13,16,18,26,28-29H,2-6,12,15H2,1H3/t18-/m1/s1
InChIKeyXFFHXSWNFCFPJW-GOSISDBHSA-N
MW416.53 g/mol
LogP4.39
Rot. Bonds7

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

6-cyclopropyl-7-(4-ethoxyanilino)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485198) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 6-cyclopropyl-7-(4-ethoxyanilino)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-7-(4-ethoxyanilino)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485198
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name6-cyclopropyl-7-(4-ethoxyanilino)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCCOc1ccc(Nc2c(C3CC3)c(N[C@@H]3CCCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C24H28N6O/c1-2-31-19-9-7-17(8-10-19)29-24-22(16-5-6-16)23(28-18-4-3-12-26-15-18)20(14-25)21-11-13-27-30(21)24/h7-11,13,16,18,26,28-29H,2-6,12,15H2,1H3/t18-/m1/s1
InChIKeyXFFHXSWNFCFPJW-GOSISDBHSA-N
XLogP4.39
TPSA86.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-7-(4-ethoxyanilino)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 6-cyclopropyl-7-(4-ethoxyanilino)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485198) is 6-cyclopropyl-7-(4-ethoxyanilino)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-7-(4-ethoxyanilino)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 6-cyclopropyl-7-(4-ethoxyanilino)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is CCOc1ccc(Nc2c(C3CC3)c(N[C@@H]3CCCNC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 6-cyclopropyl-7-(4-ethoxyanilino)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is XFFHXSWNFCFPJW-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28N6O/c1-2-31-19-9-7-17(8-10-19)29-24-22(16-5-6-16)23(28-18-4-3-12-26-15-18)20(14-25)21-11-13-27-30(21)24/h7-11,13,16,18,26,28-29H,2-6,12,15H2,1H3/t18-/m1/s1.
What are the key properties of 6-cyclopropyl-7-(4-ethoxyanilino)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
6-cyclopropyl-7-(4-ethoxyanilino)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 416.53 g/mol, XLogP of 4.39, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-7-(4-ethoxyanilino)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).