methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate

C23H26F3N5O3 — CID 168782772

IUPACmethyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate
SMILESCCn1cc(C(=O)OC)cc1C(=O)NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1
InChIInChI=1S/C23H26F3N5O3/c1-3-30-12-14(22(33)34-2)11-17(30)21(32)28-16-9-7-15(8-10-16)27-19-5-4-6-20-29-18(13-31(19)20)23(24,25)26/h4-6,11-13,15-16,27H,3,7-10H2,1-2H3,(H,28,32)
InChIKeyOSFRMTCSKHKQRU-UHFFFAOYSA-N
MW477.49 g/mol
LogP4.11
Rot. Bonds6

About methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate

methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate (PubChem CID 168782772) has the molecular formula C23H26F3N5O3 and a molecular weight of 477.49 g/mol. Its IUPAC name is methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate
PubChem CID168782772
Molecular FormulaC23H26F3N5O3
Molecular Weight477.49 g/mol
Exact Mass477.20
IUPAC Namemethyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate
SMILESCCn1cc(C(=O)OC)cc1C(=O)NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1
InChIInChI=1S/C23H26F3N5O3/c1-3-30-12-14(22(33)34-2)11-17(30)21(32)28-16-9-7-15(8-10-16)27-19-5-4-6-20-29-18(13-31(19)20)23(24,25)26/h4-6,11-13,15-16,27H,3,7-10H2,1-2H3,(H,28,32)
InChIKeyOSFRMTCSKHKQRU-UHFFFAOYSA-N
XLogP4.11
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate
CID 166009025
2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide
CID 177065630
4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009130
2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558189
2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 164558229
2-(propan-2-ylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 164558337
3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
CID 164558406
3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558091
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 164558237
4-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-benzimidazole-2-carboxamide
CID 166008993
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indazole-7-carboxamide
CID 164558388
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indole-3-carboxamide
CID 166009171

Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate?
The IUPAC name of methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate (CID 168782772) is methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate.
What is the SMILES notation for methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate?
The canonical SMILES for methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate is CCn1cc(C(=O)OC)cc1C(=O)NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1.
What is the InChIKey of methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate?
The InChIKey is OSFRMTCSKHKQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O3/c1-3-30-12-14(22(33)34-2)11-17(30)21(32)28-16-9-7-15(8-10-16)27-19-5-4-6-20-29-18(13-31(19)20)23(24,25)26/h4-6,11-13,15-16,27H,3,7-10H2,1-2H3,(H,28,32).
What are the key properties of methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate?
methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate has a molecular weight of 477.49 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate is sourced from PubChem (CID 168782772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).