N-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C25H25F2N7O2S — CID 164547655

IUPACN-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCC(F)(F)CC2)cc1NC(=O)c1cnn2cc(-c3ccncc3)sc12
InChIInChI=1S/C25H25F2N7O2S/c1-16-20(12-18(13-30-16)22(35)29-8-11-33-9-4-25(26,27)5-10-33)32-23(36)19-14-31-34-15-21(37-24(19)34)17-2-6-28-7-3-17/h2-3,6-7,12-15H,4-5,8-11H2,1H3,(H,29,35)(H,32,36)
InChIKeyACORGJFZJHDNFN-UHFFFAOYSA-N
MW525.59 g/mol
LogP3.87
Rot. Bonds7

About N-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547655) has the molecular formula C25H25F2N7O2S and a molecular weight of 525.59 g/mol. Its IUPAC name is N-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547655
Molecular FormulaC25H25F2N7O2S
Molecular Weight525.59 g/mol
Exact Mass525.18
IUPAC NameN-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(C(=O)NCCN2CCC(F)(F)CC2)cc1NC(=O)c1cnn2cc(-c3ccncc3)sc12
InChIInChI=1S/C25H25F2N7O2S/c1-16-20(12-18(13-30-16)22(35)29-8-11-33-9-4-25(26,27)5-10-33)32-23(36)19-14-31-34-15-21(37-24(19)34)17-2-6-28-7-3-17/h2-3,6-7,12-15H,4-5,8-11H2,1H3,(H,29,35)(H,32,36)
InChIKeyACORGJFZJHDNFN-UHFFFAOYSA-N
XLogP3.87
TPSA104.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.59
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547655) is N-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(C(=O)NCCN2CCC(F)(F)CC2)cc1NC(=O)c1cnn2cc(-c3ccncc3)sc12.
What is the InChIKey of N-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is ACORGJFZJHDNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O2S/c1-16-20(12-18(13-30-16)22(35)29-8-11-33-9-4-25(26,27)5-10-33)32-23(36)19-14-31-34-15-21(37-24(19)34)17-2-6-28-7-3-17/h2-3,6-7,12-15H,4-5,8-11H2,1H3,(H,29,35)(H,32,36).
What are the key properties of N-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 525.59 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4,4-difluoropiperidin-1-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-pyridin-4-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).