cis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide

C14H15F3N4O2 — CID 136589200

IUPACcis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCOCC(F)(F)F)[C@@H]1C[C@@H]1c1nc2ncccc2[nH]1
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)7-23-5-4-19-13(22)9-6-8(9)11-20-10-2-1-3-18-12(10)21-11/h1-3,8-9H,4-7H2,(H,19,22)(H,18,20,21)/t8-,9+/m0/s1
InChIKeyXZBDFCVUZRNLLO-DTWKUNHWSA-N
MW328.29 g/mol
LogP1.76
Rot. Bonds6

About cis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide (PubChem CID 136589200) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is cis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide
PubChem CID136589200
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Namecis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCOCC(F)(F)F)[C@@H]1C[C@@H]1c1nc2ncccc2[nH]1
InChIInChI=1S/C14H15F3N4O2/c15-14(16,17)7-23-5-4-19-13(22)9-6-8(9)11-20-10-2-1-3-18-12(10)21-11/h1-3,8-9H,4-7H2,(H,19,22)(H,18,20,21)/t8-,9+/m0/s1
InChIKeyXZBDFCVUZRNLLO-DTWKUNHWSA-N
XLogP1.76
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[1-[5-(2,2,2-trifluoroethoxy)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
CID 130244798
cis-(1,3-dioxoisoindol-2-yl) (1S,2R)-2-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxylate
CID 178202293
trans-(1R,2R)-2-(1H-benzimidazol-2-yl)-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]cyclopropane-1-carboxamide
CID 150297324
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CID 63828896
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CID 104622377
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CID 104743648
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80566305
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[4-methyl-2-(2,2,2-trifluoroethoxy)-1,3-thiazol-5-yl]ethyl]cyclopropane-1-carboxamide
CID 135377453
2-[2-[[3-(trifluoromethyl)-2-pyridinyl]oxy]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120697842
2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide
CID 71847605
2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978794
2-(4-fluorophenyl)-N-(3-quinolin-8-yloxypropyl)cyclopropane-1-carboxamide
CID 56534973

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide (CID 136589200) is cis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide is O=C(NCCOCC(F)(F)F)[C@@H]1C[C@@H]1c1nc2ncccc2[nH]1.
What is the InChIKey of cis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide?
The InChIKey is XZBDFCVUZRNLLO-DTWKUNHWSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c15-14(16,17)7-23-5-4-19-13(22)9-6-8(9)11-20-10-2-1-3-18-12(10)21-11/h1-3,8-9H,4-7H2,(H,19,22)(H,18,20,21)/t8-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide has a molecular weight of 328.29 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(1H-imidazo[4,5-b]pyridin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 136589200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).