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

C20H22N6 — CID 45485191

IUPAC7-anilino-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCc1c(N[C@@H]2CCCNC2)c(C#N)c2ccnn2c1Nc1ccccc1
InChIInChI=1S/C20H22N6/c1-14-19(24-16-8-5-10-22-13-16)17(12-21)18-9-11-23-26(18)20(14)25-15-6-3-2-4-7-15/h2-4,6-7,9,11,16,22,24-25H,5,8,10,13H2,1H3/t16-/m1/s1
InChIKeyXETKYQJLZQZBDH-MRXNPFEDSA-N
MW346.44 g/mol
LogP3.42
Rot. Bonds4

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

7-anilino-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485191) has the molecular formula C20H22N6 and a molecular weight of 346.44 g/mol. Its IUPAC name is 7-anilino-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-anilino-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485191
Molecular FormulaC20H22N6
Molecular Weight346.44 g/mol
Exact Mass346.19
IUPAC Name7-anilino-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCc1c(N[C@@H]2CCCNC2)c(C#N)c2ccnn2c1Nc1ccccc1
InChIInChI=1S/C20H22N6/c1-14-19(24-16-8-5-10-22-13-16)17(12-21)18-9-11-23-26(18)20(14)25-15-6-3-2-4-7-15/h2-4,6-7,9,11,16,22,24-25H,5,8,10,13H2,1H3/t16-/m1/s1
InChIKeyXETKYQJLZQZBDH-MRXNPFEDSA-N
XLogP3.42
TPSA77.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-anilino-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-anilino-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485191) is 7-anilino-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-anilino-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-anilino-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is Cc1c(N[C@@H]2CCCNC2)c(C#N)c2ccnn2c1Nc1ccccc1.
What is the InChIKey of 7-anilino-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is XETKYQJLZQZBDH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N6/c1-14-19(24-16-8-5-10-22-13-16)17(12-21)18-9-11-23-26(18)20(14)25-15-6-3-2-4-7-15/h2-4,6-7,9,11,16,22,24-25H,5,8,10,13H2,1H3/t16-/m1/s1.
What are the key properties of 7-anilino-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-anilino-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 346.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-anilino-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).