cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide

C14H15FN4O — CID 146488508

IUPACcis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide
SMILESCCc1cc(N)c2nnc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C14H15FN4O/c1-2-7-3-8-5-12(17-14(20)9-6-10(9)15)18-19-13(8)11(16)4-7/h3-5,9-10H,2,6,16H2,1H3,(H,17,18,20)/t9-,10+/m1/s1
InChIKeyKBQHCKAIZSSISG-ZJUUUORDSA-N
MW274.30 g/mol
LogP2.07
Rot. Bonds3

About cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide (PubChem CID 146488508) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide
PubChem CID146488508
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Namecis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide
SMILESCCc1cc(N)c2nnc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1
InChIInChI=1S/C14H15FN4O/c1-2-7-3-8-5-12(17-14(20)9-6-10(9)15)18-19-13(8)11(16)4-7/h3-5,9-10H,2,6,16H2,1H3,(H,17,18,20)/t9-,10+/m1/s1
InChIKeyKBQHCKAIZSSISG-ZJUUUORDSA-N
XLogP2.07
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2S)-N-[8-amino-6-(3-methyl-4-pyridinyl)cinnolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 146488505
cis-(1S,2S)-N-(4-ethyl-5-oxo-6H-1,6-naphthyridin-2-yl)-2-fluorocyclopropane-1-carboxamide
CID 177348755
tert-butyl N-[6-cyclopropyl-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]cinnolin-8-yl]carbamate
CID 146488208
methyl 5-[8-amino-3-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]isoquinolin-6-yl]-4-ethylpyridine-2-carboxylate
CID 140921514
[6-(4-cyclopropyl-3-pyridinyl)-3-[(2-fluorocyclopropanecarbonyl)amino]cinnolin-8-yl]carbamic acid
CID 146469805
N-(7-chloro-2,6-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 123638176
cis-(1S,2S)-N-[8-amino-6-(2-ethyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135343363
cis-(1R,2R)-N-[8-amino-6-(2-ethyl-5-oxopyrrolidin-1-yl)isoquinolin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 140921701
cis-(1R,2R)-N-(8-amino-6-phenylisoquinolin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 159956287
cis-(1S,2S)-N-[8-amino-6-[(2R)-2-propylpyrrolidin-1-yl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 142447473
N-[6-[3,5-bis(6-acetamido-4-ethyl-2-pyridinyl)cyclohexyl]-4-ethyl-2-pyridinyl]acetamide
CID 25124331
cis-(1S,2S)-N-(8-amino-6-pyridin-3-ylisoquinolin-3-yl)-2-fluorocyclopropane-1-carboxamide
CID 135343190

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide (CID 146488508) is cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide is CCc1cc(N)c2nnc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1.
What is the InChIKey of cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide?
The InChIKey is KBQHCKAIZSSISG-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-2-7-3-8-5-12(17-14(20)9-6-10(9)15)18-19-13(8)11(16)4-7/h3-5,9-10H,2,6,16H2,1H3,(H,17,18,20)/t9-,10+/m1/s1.
What are the key properties of cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-(8-amino-6-ethylcinnolin-3-yl)-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 146488508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).