N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide

C26H27F4N5O2S — CID 58464905

IUPACN-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CCC[C@@H](CC(=O)C(F)(F)F)CC1
InChIInChI=1S/C26H27F4N5O2S/c1-15-22(33-24(38-15)18-6-2-3-7-19(18)27)23(37)32-20-14-31-35(17-8-9-17)25(20)34-11-4-5-16(10-12-34)13-21(36)26(28,29)30/h2-3,6-7,14,16-17H,4-5,8-13H2,1H3,(H,32,37)/t16-/m1/s1
InChIKeyVYJVEZOFYUMGGY-MRXNPFEDSA-N
MW549.59 g/mol
LogP6.17
Rot. Bonds7

About N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide

N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide (PubChem CID 58464905) has the molecular formula C26H27F4N5O2S and a molecular weight of 549.59 g/mol. Its IUPAC name is N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
PubChem CID58464905
Molecular FormulaC26H27F4N5O2S
Molecular Weight549.59 g/mol
Exact Mass549.18
IUPAC NameN-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
SMILESCc1sc(-c2ccccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CCC[C@@H](CC(=O)C(F)(F)F)CC1
InChIInChI=1S/C26H27F4N5O2S/c1-15-22(33-24(38-15)18-6-2-3-7-19(18)27)23(37)32-20-14-31-35(17-8-9-17)25(20)34-11-4-5-16(10-12-34)13-21(36)26(28,29)30/h2-3,6-7,14,16-17H,4-5,8-13H2,1H3,(H,32,37)/t16-/m1/s1
InChIKeyVYJVEZOFYUMGGY-MRXNPFEDSA-N
XLogP6.17
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.59
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[1-ethyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide
CID 58464961
5-amino-N-[5-(4-aminoazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 67437382
2-(2,6-difluorophenyl)-N-[5-[4,4-difluoro-5-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]-1-methylpyrazol-4-yl]-5-methyl-1,3-thiazole-4-carboxamide
CID 58464765
5-amino-N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482603
3-amino-N-[5-[3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 67437262
3-amino-N-[5-[(3S)-3-(aminomethyl)piperidin-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 53482485
5-amino-N-[5-[(4S,5S)-4-amino-5-fluoroazepan-1-yl]-1-cyclopropylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 86680113
5-amino-N-[5-(5-amino-3-fluoroazepan-1-yl)-1-cyclopropylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123691125
3-amino-N-[5-[(4S)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 53482604
3-amino-N-[5-(4-aminoazepan-1-yl)-1-methylpyrazol-4-yl]-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 53482385
5-amino-N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2-fluoro-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 58465102
5-amino-2-(2-fluorophenyl)-N-[5-(4-hydroxy-4-methylazepan-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58464757

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide (CID 58464905) is N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide is Cc1sc(-c2ccccc2F)nc1C(=O)Nc1cnn(C2CC2)c1N1CCC[C@@H](CC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is VYJVEZOFYUMGGY-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H27F4N5O2S/c1-15-22(33-24(38-15)18-6-2-3-7-19(18)27)23(37)32-20-14-31-35(17-8-9-17)25(20)34-11-4-5-16(10-12-34)13-21(36)26(28,29)30/h2-3,6-7,14,16-17H,4-5,8-13H2,1H3,(H,32,37)/t16-/m1/s1.
What are the key properties of N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide?
N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 549.59 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-5-[(4R)-4-(3,3,3-trifluoro-2-oxopropyl)azepan-1-yl]pyrazol-4-yl]-2-(2-fluorophenyl)-5-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58464905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).