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

C25H25N7O2S — CID 172585105

IUPAC(2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
SMILESCc1nc2cc(COC(=O)N3CCN(c4cnn5cc(-c6cnn(C)c6)ccc45)CC3)ccc2s1
InChIInChI=1S/C25H25N7O2S/c1-17-28-21-11-18(3-6-24(21)35-17)16-34-25(33)31-9-7-30(8-10-31)23-13-27-32-15-19(4-5-22(23)32)20-12-26-29(2)14-20/h3-6,11-15H,7-10,16H2,1-2H3
InChIKeyCZMLRDPLKGQMLP-UHFFFAOYSA-N
MW487.59 g/mol
LogP4.11
Rot. Bonds4

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

(2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate (PubChem CID 172585105) has the molecular formula C25H25N7O2S and a molecular weight of 487.59 g/mol. Its IUPAC name is (2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
PubChem CID172585105
Molecular FormulaC25H25N7O2S
Molecular Weight487.59 g/mol
Exact Mass487.18
IUPAC Name(2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
SMILESCc1nc2cc(COC(=O)N3CCN(c4cnn5cc(-c6cnn(C)c6)ccc45)CC3)ccc2s1
InChIInChI=1S/C25H25N7O2S/c1-17-28-21-11-18(3-6-24(21)35-17)16-34-25(33)31-9-7-30(8-10-31)23-13-27-32-15-19(4-5-22(23)32)20-12-26-29(2)14-20/h3-6,11-15H,7-10,16H2,1-2H3
InChIKeyCZMLRDPLKGQMLP-UHFFFAOYSA-N
XLogP4.11
TPSA80.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

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
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
[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
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
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
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-cyanophenyl)ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 172585251
1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-3-phenylbutan-1-one
CID 172585301
1-[4-(1,1-difluoroethyl)phenyl]ethyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 172585318
cesium;carbanide;2-methoxy-1-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazin-1-yl]-2-phenylethanone
CID 172585309
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

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
The IUPAC name of (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) is (2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for (2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for (2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate is Cc1nc2cc(COC(=O)N3CCN(c4cnn5cc(-c6cnn(C)c6)ccc45)CC3)ccc2s1.
What is the InChIKey of (2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
The InChIKey is CZMLRDPLKGQMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2S/c1-17-28-21-11-18(3-6-24(21)35-17)16-34-25(33)31-9-7-30(8-10-31)23-13-27-32-15-19(4-5-22(23)32)20-12-26-29(2)14-20/h3-6,11-15H,7-10,16H2,1-2H3.
What are the key properties of (2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate?
(2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate has a molecular weight of 487.59 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-benzothiazol-5-yl)methyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 172585105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).