N-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide

C36H44N12O2S2 — CID 87613183

IUPACN-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
SMILESNc1c2cnccc2nn1C(CC1CCCCC1)C(=O)Nc1nccs1.Nc1c2ncccc2nn1N(C(=O)CCC1CCCCC1)c1nccs1
InChIInChI=1S/2C18H22N6OS/c19-17-16-14(7-4-10-20-16)22-24(17)23(18-21-11-12-26-18)15(25)9-8-13-5-2-1-3-6-13;19-16-13-11-20-7-6-14(13)23-24(16)15(10-12-4-2-1-3-5-12)17(25)22-18-21-8-9-26-18/h4,7,10-13H,1-3,5-6,8-9,19H2;6-9,11-12,15H,1-5,10,19H2,(H,21,22,25)
InChIKeyZRQODSDSWMTEGS-UHFFFAOYSA-N
MW740.96 g/mol
LogP7.25
Rot. Bonds10

About N-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide

N-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 87613183) has the molecular formula C36H44N12O2S2 and a molecular weight of 740.96 g/mol. Its IUPAC name is N-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID87613183
Molecular FormulaC36H44N12O2S2
Molecular Weight740.96 g/mol
Exact Mass740.32
IUPAC NameN-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide
SMILESNc1c2cnccc2nn1C(CC1CCCCC1)C(=O)Nc1nccs1.Nc1c2ncccc2nn1N(C(=O)CCC1CCCCC1)c1nccs1
InChIInChI=1S/2C18H22N6OS/c19-17-16-14(7-4-10-20-16)22-24(17)23(18-21-11-12-26-18)15(25)9-8-13-5-2-1-3-6-13;19-16-13-11-20-7-6-14(13)23-24(16)15(10-12-4-2-1-3-5-12)17(25)22-18-21-8-9-26-18/h4,7,10-13H,1-3,5-6,8-9,19H2;6-9,11-12,15H,1-5,10,19H2,(H,21,22,25)
InChIKeyZRQODSDSWMTEGS-UHFFFAOYSA-N
XLogP7.25
TPSA188.65 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500740.96
LogP ≤ 57.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze N-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide (CID 87613183) is N-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide is Nc1c2cnccc2nn1C(CC1CCCCC1)C(=O)Nc1nccs1.Nc1c2ncccc2nn1N(C(=O)CCC1CCCCC1)c1nccs1.
What is the InChIKey of N-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is ZRQODSDSWMTEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H22N6OS/c19-17-16-14(7-4-10-20-16)22-24(17)23(18-21-11-12-26-18)15(25)9-8-13-5-2-1-3-6-13;19-16-13-11-20-7-6-14(13)23-24(16)15(10-12-4-2-1-3-5-12)17(25)22-18-21-8-9-26-18/h4,7,10-13H,1-3,5-6,8-9,19H2;6-9,11-12,15H,1-5,10,19H2,(H,21,22,25).
What are the key properties of N-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide?
N-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 740.96 g/mol, XLogP of 7.25, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopyrazolo[4,3-b]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide;2-(3-aminopyrazolo[4,3-c]pyridin-2-yl)-3-cyclohexyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 87613183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).