N-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide

C23H22F4N6OS — CID 46840332

IUPACN-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2cc(C(C)(C)C(F)(F)F)ccc2F)s1
InChIInChI=1S/C23H22F4N6OS/c1-12(31-20(34)16-8-18-17(9-28-16)30-11-33(18)4)19-10-29-21(35-19)32-15-7-13(5-6-14(15)24)22(2,3)23(25,26)27/h5-12H,1-4H3,(H,29,32)(H,31,34)
InChIKeyVNLAPSMNOKDLSQ-UHFFFAOYSA-N
MW506.53 g/mol
LogP5.64
Rot. Bonds6

About N-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide

N-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 46840332) has the molecular formula C23H22F4N6OS and a molecular weight of 506.53 g/mol. Its IUPAC name is N-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
PubChem CID46840332
Molecular FormulaC23H22F4N6OS
Molecular Weight506.53 g/mol
Exact Mass506.15
IUPAC NameN-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide
SMILESCC(NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2cc(C(C)(C)C(F)(F)F)ccc2F)s1
InChIInChI=1S/C23H22F4N6OS/c1-12(31-20(34)16-8-18-17(9-28-16)30-11-33(18)4)19-10-29-21(35-19)32-15-7-13(5-6-14(15)24)22(2,3)23(25,26)27/h5-12H,1-4H3,(H,29,32)(H,31,34)
InChIKeyVNLAPSMNOKDLSQ-UHFFFAOYSA-N
XLogP5.64
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.53
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018309
indole-based 6-membered lactam, (R)-4b
CID 15604766
3-[2-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-oxo-acetyl]-N-thiazol-2-yl-1H-pyrrolo[3,2-b]pyridine-7-carboxamide
CID 5280251
3-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24789150
2-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 16018313
Indole-based 6-membered lactam, 4f
CID 44143552
Indole-based 6-membered lactam, 22
CID 15604761
indole-based 6-membered lactam, (S)-4b
CID 15604765
3-[1-(2,4-difluorophenyl)imidazo[1,5-a]pyridin-6-yl]-2,2-dimethyl-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 24955148
2-(ethylcarbamoylamino)-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 25153946
CID 49838489
CID 49838489
3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 49839582

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The IUPAC name of N-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide (CID 46840332) is N-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide.
What is the SMILES notation for N-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The canonical SMILES for N-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide is CC(NC(=O)c1cc2c(cn1)ncn2C)c1cnc(Nc2cc(C(C)(C)C(F)(F)F)ccc2F)s1.
What is the InChIKey of N-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
The InChIKey is VNLAPSMNOKDLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F4N6OS/c1-12(31-20(34)16-8-18-17(9-28-16)30-11-33(18)4)19-10-29-21(35-19)32-15-7-13(5-6-14(15)24)22(2,3)23(25,26)27/h5-12H,1-4H3,(H,29,32)(H,31,34).
What are the key properties of N-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide?
N-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 506.53 g/mol, XLogP of 5.64, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-fluoro-5-(1,1,1-trifluoro-2-methylpropan-2-yl)anilino]-1,3-thiazol-5-yl]ethyl]-1-methylimidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 46840332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).