7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile

C23H28N6O2 — CID 45485196

IUPAC7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCOCCOc1ccc(Nc2c(C)c(N[C@@H]3CCCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C23H28N6O2/c1-16-22(27-18-4-3-10-25-15-18)20(14-24)21-9-11-26-29(21)23(16)28-17-5-7-19(8-6-17)31-13-12-30-2/h5-9,11,18,25,27-28H,3-4,10,12-13,15H2,1-2H3/t18-/m1/s1
InChIKeyVLMPYPUVJWFLKY-GOSISDBHSA-N
MW420.52 g/mol
LogP3.45
Rot. Bonds8

About 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile

7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485196) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485196
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCOCCOc1ccc(Nc2c(C)c(N[C@@H]3CCCNC3)c(C#N)c3ccnn23)cc1
InChIInChI=1S/C23H28N6O2/c1-16-22(27-18-4-3-10-25-15-18)20(14-24)21-9-11-26-29(21)23(16)28-17-5-7-19(8-6-17)31-13-12-30-2/h5-9,11,18,25,27-28H,3-4,10,12-13,15H2,1-2H3/t18-/m1/s1
InChIKeyVLMPYPUVJWFLKY-GOSISDBHSA-N
XLogP3.45
TPSA95.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485196) is 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is COCCOc1ccc(Nc2c(C)c(N[C@@H]3CCCNC3)c(C#N)c3ccnn23)cc1.
What is the InChIKey of 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is VLMPYPUVJWFLKY-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16-22(27-18-4-3-10-25-15-18)20(14-24)21-9-11-26-29(21)23(16)28-17-5-7-19(8-6-17)31-13-12-30-2/h5-9,11,18,25,27-28H,3-4,10,12-13,15H2,1-2H3/t18-/m1/s1.
What are the key properties of 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 420.52 g/mol, XLogP of 3.45, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-methoxyethoxy)anilino]-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).