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

C21H21N7S — CID 45485197

IUPAC7-(1,3-benzothiazol-2-ylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCc1c(N[C@@H]2CCCNC2)c(C#N)c2ccnn2c1Nc1nc2ccccc2s1
InChIInChI=1S/C21H21N7S/c1-13-19(25-14-5-4-9-23-12-14)15(11-22)17-8-10-24-28(17)20(13)27-21-26-16-6-2-3-7-18(16)29-21/h2-3,6-8,10,14,23,25H,4-5,9,12H2,1H3,(H,26,27)/t14-/m1/s1
InChIKeyLSPHQBVXATUNBT-CQSZACIVSA-N
MW403.52 g/mol
LogP4.03
Rot. Bonds4

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

7-(1,3-benzothiazol-2-ylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (PubChem CID 45485197) has the molecular formula C21H21N7S and a molecular weight of 403.52 g/mol. Its IUPAC name is 7-(1,3-benzothiazol-2-ylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile.

Molecular Properties

Compound Name7-(1,3-benzothiazol-2-ylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
PubChem CID45485197
Molecular FormulaC21H21N7S
Molecular Weight403.52 g/mol
Exact Mass403.16
IUPAC Name7-(1,3-benzothiazol-2-ylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile
SMILESCc1c(N[C@@H]2CCCNC2)c(C#N)c2ccnn2c1Nc1nc2ccccc2s1
InChIInChI=1S/C21H21N7S/c1-13-19(25-14-5-4-9-23-12-14)15(11-22)17-8-10-24-28(17)20(13)27-21-26-16-6-2-3-7-18(16)29-21/h2-3,6-8,10,14,23,25H,4-5,9,12H2,1H3,(H,26,27)/t14-/m1/s1
InChIKeyLSPHQBVXATUNBT-CQSZACIVSA-N
XLogP4.03
TPSA90.07 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(4-piperazin-1-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979519
6-(5-amino-1-ethyl-3-(2-fluorophenyl)-1H-pyrazol-4-yl)-N-(R)-sec-butylbenzo[d]thiazol-2-amine
CID 15987405
2-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl)benzo[d]thiazol-5-amine
CID 24815998
N2-(4-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44564787
N2-(3-(benzo[d]thiazol-2-yl)phenyl)-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 44565013
3-((5-((1,2,4)Triazolo(1,5-a)pyridin-6-yl)-4-(6-methylpyridin-2-yl)thiazol-2-ylamino)methyl)benzonitrile
CID 70682755
N-[(3-fluorophenyl)methyl]-4-(6-methyl-2-pyridinyl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3-thiazol-2-amine
CID 70695370
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-(4-quinolin-2-ylbut-3-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56952889
5-[1-(6-Piperazin-1-yl-2-pyridyl)pyrazolo[4,3-c]pyridin-6-yl]thiazole
CID 72715048
(3R)-1-[6-[6-(1,3-thiazol-5-yl)pyrazolo[4,3-c]pyridin-1-yl]-2-pyridinyl]piperidin-3-amine
CID 89914774
2-{4-[(1-Phenethyl-1H-tetrazol-5-yl)-pyridin-3-yl-methyl]-piperazin-1-yl}-benzothiazole
CID 650140
N-isopropyl-6-(1-phenyl-1H-pyrazol-5-yl)benzo[d]thiazol-2-amine
CID 44448073

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-benzothiazol-2-ylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The IUPAC name of 7-(1,3-benzothiazol-2-ylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile (CID 45485197) is 7-(1,3-benzothiazol-2-ylamino)-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-ylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The canonical SMILES for 7-(1,3-benzothiazol-2-ylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is Cc1c(N[C@@H]2CCCNC2)c(C#N)c2ccnn2c1Nc1nc2ccccc2s1.
What is the InChIKey of 7-(1,3-benzothiazol-2-ylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
The InChIKey is LSPHQBVXATUNBT-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21N7S/c1-13-19(25-14-5-4-9-23-12-14)15(11-22)17-8-10-24-28(17)20(13)27-21-26-16-6-2-3-7-18(16)29-21/h2-3,6-8,10,14,23,25H,4-5,9,12H2,1H3,(H,26,27)/t14-/m1/s1.
What are the key properties of 7-(1,3-benzothiazol-2-ylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile?
7-(1,3-benzothiazol-2-ylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile has a molecular weight of 403.52 g/mol, XLogP of 4.03, 4 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-ylamino)-6-methyl-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyridine-4-carbonitrile is sourced from PubChem (CID 45485197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).