N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide

C25H26N8OS — CID 172585163

IUPACN-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide
SMILESCc1nc2ccc(CNC(=O)N3CCN(c4cnn5cc(-c6cnn(C)c6)ccc45)CC3)cc2s1
InChIInChI=1S/C25H26N8OS/c1-17-29-21-5-3-18(11-24(21)35-17)12-26-25(34)32-9-7-31(8-10-32)23-14-28-33-16-19(4-6-22(23)33)20-13-27-30(2)15-20/h3-6,11,13-16H,7-10,12H2,1-2H3,(H,26,34)
InChIKeyRZUYMYFAAJVFLP-UHFFFAOYSA-N
MW486.61 g/mol
LogP3.68
Rot. Bonds4

About N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide

N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide (PubChem CID 172585163) has the molecular formula C25H26N8OS and a molecular weight of 486.61 g/mol. Its IUPAC name is N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide
PubChem CID172585163
Molecular FormulaC25H26N8OS
Molecular Weight486.61 g/mol
Exact Mass486.20
IUPAC NameN-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide
SMILESCc1nc2ccc(CNC(=O)N3CCN(c4cnn5cc(-c6cnn(C)c6)ccc45)CC3)cc2s1
InChIInChI=1S/C25H26N8OS/c1-17-29-21-5-3-18(11-24(21)35-17)12-26-25(34)32-9-7-31(8-10-32)23-14-28-33-16-19(4-6-22(23)33)20-13-27-30(2)15-20/h3-6,11,13-16H,7-10,12H2,1-2H3,(H,26,34)
InChIKeyRZUYMYFAAJVFLP-UHFFFAOYSA-N
XLogP3.68
TPSA83.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 172585105
3-(4-methoxyphenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
CID 172585231
3-(4-fluorophenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
CID 172585266
3-(4-chlorophenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]propan-1-one
CID 172585285
4-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-oxoethyl]benzonitrile
CID 172585194
1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one
CID 172585301
3-[4-[5-methyl-1-[(4-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 172585053
(3R)-3-(4-chlorophenyl)-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]butan-1-one
CID 172585217
3-[2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]pyrimidin-5-yl]propane-1,2-diol
CID 172550901
[2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)ethyl] 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 172584987
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-[(4-prop-1-en-2-ylphenyl)methyl]piperazine-1-carboxamide
CID 146661188
1-(4-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 172585251

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide (CID 172585163) is N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide is Cc1nc2ccc(CNC(=O)N3CCN(c4cnn5cc(-c6cnn(C)c6)ccc45)CC3)cc2s1.
What is the InChIKey of N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide?
The InChIKey is RZUYMYFAAJVFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8OS/c1-17-29-21-5-3-18(11-24(21)35-17)12-26-25(34)32-9-7-31(8-10-32)23-14-28-33-16-19(4-6-22(23)33)20-13-27-30(2)15-20/h3-6,11,13-16H,7-10,12H2,1-2H3,(H,26,34).
What are the key properties of N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide?
N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide has a molecular weight of 486.61 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-benzothiazol-6-yl)methyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 172585163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).