2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C24H26F2N8O3S — CID 164548354

IUPAC2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN(C)C2CCOCC2)cc1NC(=O)c1cnn2cc(-c3cnn(C(F)F)c3)sc12
InChIInChI=1S/C24H26F2N8O3S/c1-14-19(7-16(9-27-14)30-21(35)13-32(2)17-3-5-37-6-4-17)31-22(36)18-10-29-33-12-20(38-23(18)33)15-8-28-34(11-15)24(25)26/h7-12,17,24H,3-6,13H2,1-2H3,(H,30,35)(H,31,36)
InChIKeyZAEYCTQNZFQPAI-UHFFFAOYSA-N
MW544.59 g/mol
LogP3.66
Rot. Bonds8

About 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164548354) has the molecular formula C24H26F2N8O3S and a molecular weight of 544.59 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164548354
Molecular FormulaC24H26F2N8O3S
Molecular Weight544.59 g/mol
Exact Mass544.18
IUPAC Name2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN(C)C2CCOCC2)cc1NC(=O)c1cnn2cc(-c3cnn(C(F)F)c3)sc12
InChIInChI=1S/C24H26F2N8O3S/c1-14-19(7-16(9-27-14)30-21(35)13-32(2)17-3-5-37-6-4-17)31-22(36)18-10-29-33-12-20(38-23(18)33)15-8-28-34(11-15)24(25)26/h7-12,17,24H,3-6,13H2,1-2H3,(H,30,35)(H,31,36)
InChIKeyZAEYCTQNZFQPAI-UHFFFAOYSA-N
XLogP3.66
TPSA118.68 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.59
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164548354) is 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN(C)C2CCOCC2)cc1NC(=O)c1cnn2cc(-c3cnn(C(F)F)c3)sc12.
What is the InChIKey of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is ZAEYCTQNZFQPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N8O3S/c1-14-19(7-16(9-27-14)30-21(35)13-32(2)17-3-5-37-6-4-17)31-22(36)18-10-29-33-12-20(38-23(18)33)15-8-28-34(11-15)24(25)26/h7-12,17,24H,3-6,13H2,1-2H3,(H,30,35)(H,31,36).
What are the key properties of 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 544.59 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[methyl(oxan-4-yl)amino]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164548354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).