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

C22H23N7S — CID 45485205

IUPAC7-(1,3-benzothiazol-2-ylmethylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCc1c(N[C@@H]2CCCNC2)c(C#N)c2ccnn2c1NCc1nc2ccccc2s1
InChIInChI=1S/C22H23N7S/c1-14-21(27-15-5-4-9-24-12-15)16(11-23)18-8-10-26-29(18)22(14)25-13-20-28-17-6-2-3-7-19(17)30-20/h2-3,6-8,10,15,24-25,27H,4-5,9,12-13H2,1H3/t15-/m1/s1
InChIKeyUJQDVGPUATUKAW-OAHLLOKOSA-N
MW417.54 g/mol
LogP3.90
Rot. Bonds5

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

7-(1,3-benzothiazol-2-ylmethylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485205) has the molecular formula C22H23N7S and a molecular weight of 417.54 g/mol. Its IUPAC name is 7-(1,3-benzothiazol-2-ylmethylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-(1,3-benzothiazol-2-ylmethylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485205
Molecular FormulaC22H23N7S
Molecular Weight417.54 g/mol
Exact Mass417.17
IUPAC Name7-(1,3-benzothiazol-2-ylmethylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCc1c(N[C@@H]2CCCNC2)c(C#N)c2ccnn2c1NCc1nc2ccccc2s1
InChIInChI=1S/C22H23N7S/c1-14-21(27-15-5-4-9-24-12-15)16(11-23)18-8-10-26-29(18)22(14)25-13-20-28-17-6-2-3-7-19(17)30-20/h2-3,6-8,10,15,24-25,27H,4-5,9,12-13H2,1H3/t15-/m1/s1
InChIKeyUJQDVGPUATUKAW-OAHLLOKOSA-N
XLogP3.90
TPSA90.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzothiazol-2-ylmethylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-(1,3-benzothiazol-2-ylmethylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485205) is 7-(1,3-benzothiazol-2-ylmethylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.
What is the SMILES notation for 7-(1,3-benzothiazol-2-ylmethylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-(1,3-benzothiazol-2-ylmethylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is Cc1c(N[C@@H]2CCCNC2)c(C#N)c2ccnn2c1NCc1nc2ccccc2s1.
What is the InChIKey of 7-(1,3-benzothiazol-2-ylmethylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is UJQDVGPUATUKAW-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N7S/c1-14-21(27-15-5-4-9-24-12-15)16(11-23)18-8-10-26-29(18)22(14)25-13-20-28-17-6-2-3-7-19(17)30-20/h2-3,6-8,10,15,24-25,27H,4-5,9,12-13H2,1H3/t15-/m1/s1.
What are the key properties of 7-(1,3-benzothiazol-2-ylmethylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-(1,3-benzothiazol-2-ylmethylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 417.54 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-benzothiazol-2-ylmethylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).