N-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine

C35H38F3N7S — CID 167099905

IUPACN-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine
SMILESC/C=C(\Nc1nccs1)C(c1ncn2c1CCC2)n1cc2c(C(F)(F)F)cc(-c3ccc(C4CCN(CC)CC4)cc3)c(C)c2n1
InChIInChI=1S/C35H38F3N7S/c1-4-29(41-34-39-14-18-46-34)33(32-30-7-6-15-44(30)21-40-32)45-20-27-28(35(36,37)38)19-26(22(3)31(27)42-45)25-10-8-23(9-11-25)24-12-16-43(5-2)17-13-24/h4,8-11,14,18-21,24,33H,5-7,12-13,15-17H2,1-3H3,(H,39,41)/b29-4-
InChIKeyNIYZOKAKZMTUNX-SJVJIWFDSA-N
MW645.80 g/mol
LogP8.43
Rot. Bonds8

About N-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine

N-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine (PubChem CID 167099905) has the molecular formula C35H38F3N7S and a molecular weight of 645.80 g/mol. Its IUPAC name is N-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine
PubChem CID167099905
Molecular FormulaC35H38F3N7S
Molecular Weight645.80 g/mol
Exact Mass645.29
IUPAC NameN-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine
SMILESC/C=C(\Nc1nccs1)C(c1ncn2c1CCC2)n1cc2c(C(F)(F)F)cc(-c3ccc(C4CCN(CC)CC4)cc3)c(C)c2n1
InChIInChI=1S/C35H38F3N7S/c1-4-29(41-34-39-14-18-46-34)33(32-30-7-6-15-44(30)21-40-32)45-20-27-28(35(36,37)38)19-26(22(3)31(27)42-45)25-10-8-23(9-11-25)24-12-16-43(5-2)17-13-24/h4,8-11,14,18-21,24,33H,5-7,12-13,15-17H2,1-3H3,(H,39,41)/b29-4-
InChIKeyNIYZOKAKZMTUNX-SJVJIWFDSA-N
XLogP8.43
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.80
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

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CID 163388631
2-[4-(difluoromethyl)-7-methyl-6-(4-morpholin-4-ylphenyl)indazol-2-yl]-2-spiro[6,7-dihydropyrrolo[1,2-c]imidazole-5,1'-cyclopropane]-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 168270006
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CID 117777650
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CID 49833057
N-[1-[[2,4-dimethyl-1-(2-pyrazol-1-ylethyl)indol-5-yl]methyl]piperidin-4-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine (CID 167099905) is N-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine is C/C=C(\Nc1nccs1)C(c1ncn2c1CCC2)n1cc2c(C(F)(F)F)cc(-c3ccc(C4CCN(CC)CC4)cc3)c(C)c2n1.
What is the InChIKey of N-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine?
The InChIKey is NIYZOKAKZMTUNX-SJVJIWFDSA-N. The full InChI is InChI=1S/C35H38F3N7S/c1-4-29(41-34-39-14-18-46-34)33(32-30-7-6-15-44(30)21-40-32)45-20-27-28(35(36,37)38)19-26(22(3)31(27)42-45)25-10-8-23(9-11-25)24-12-16-43(5-2)17-13-24/h4,8-11,14,18-21,24,33H,5-7,12-13,15-17H2,1-3H3,(H,39,41)/b29-4-.
What are the key properties of N-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine?
N-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine has a molecular weight of 645.80 g/mol, XLogP of 8.43, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-1-[6-[4-(1-ethylpiperidin-4-yl)phenyl]-7-methyl-4-(trifluoromethyl)indazol-2-yl]but-2-en-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 167099905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).