N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C27H30FN7O3S — CID 164547820

IUPACN-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccn(CCF)c3=O)sc12
InChIInChI=1S/C27H30FN7O3S/c1-17-21(12-18(13-29-17)31-23(36)16-34-10-5-7-27(34,2)3)32-24(37)20-14-30-35-15-22(39-26(20)35)19-6-4-9-33(11-8-28)25(19)38/h4,6,9,12-15H,5,7-8,10-11,16H2,1-3H3,(H,31,36)(H,32,37)
InChIKeyNFVDUSPFWXFFRV-UHFFFAOYSA-N
MW551.65 g/mol
LogP3.96
Rot. Bonds8

About N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547820) has the molecular formula C27H30FN7O3S and a molecular weight of 551.65 g/mol. Its IUPAC name is N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547820
Molecular FormulaC27H30FN7O3S
Molecular Weight551.65 g/mol
Exact Mass551.21
IUPAC NameN-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCc1ncc(NC(=O)CN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccn(CCF)c3=O)sc12
InChIInChI=1S/C27H30FN7O3S/c1-17-21(12-18(13-29-17)31-23(36)16-34-10-5-7-27(34,2)3)32-24(37)20-14-30-35-15-22(39-26(20)35)19-6-4-9-33(11-8-28)25(19)38/h4,6,9,12-15H,5,7-8,10-11,16H2,1-3H3,(H,31,36)(H,32,37)
InChIKeyNFVDUSPFWXFFRV-UHFFFAOYSA-N
XLogP3.96
TPSA113.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.65
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547820) is N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is Cc1ncc(NC(=O)CN2CCCC2(C)C)cc1NC(=O)c1cnn2cc(-c3cccn(CCF)c3=O)sc12.
What is the InChIKey of N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is NFVDUSPFWXFFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O3S/c1-17-21(12-18(13-29-17)31-23(36)16-34-10-5-7-27(34,2)3)32-24(37)20-14-30-35-15-22(39-26(20)35)19-6-4-9-33(11-8-28)25(19)38/h4,6,9,12-15H,5,7-8,10-11,16H2,1-3H3,(H,31,36)(H,32,37).
What are the key properties of N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 551.65 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(2,2-dimethylpyrrolidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-fluoroethyl)-2-oxo-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).