2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide

C25H25FN4O2 — CID 148594437

IUPAC2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide
SMILESCc1cnc(NC(=O)C(C2CC2)C2[C@H]3CC(Oc4ccnc5ccc(F)cc45)C[C@@H]23)cn1
InChIInChI=1S/C25H25FN4O2/c1-13-11-29-22(12-28-13)30-25(31)23(14-2-3-14)24-17-9-16(10-18(17)24)32-21-6-7-27-20-5-4-15(26)8-19(20)21/h4-8,11-12,14,16-18,23-24H,2-3,9-10H2,1H3,(H,29,30,31)/t16?,17-,18+,23?,24?
InChIKeyNBHALIAIOLDNNY-PUAVIRJBSA-N
MW432.50 g/mol
LogP4.54
Rot. Bonds6

About 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide

2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide (PubChem CID 148594437) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide
PubChem CID148594437
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide
SMILESCc1cnc(NC(=O)C(C2CC2)C2[C@H]3CC(Oc4ccnc5ccc(F)cc45)C[C@@H]23)cn1
InChIInChI=1S/C25H25FN4O2/c1-13-11-29-22(12-28-13)30-25(31)23(14-2-3-14)24-17-9-16(10-18(17)24)32-21-6-7-27-20-5-4-15(26)8-19(20)21/h4-8,11-12,14,16-18,23-24H,2-3,9-10H2,1H3,(H,29,30,31)/t16?,17-,18+,23?,24?
InChIKeyNBHALIAIOLDNNY-PUAVIRJBSA-N
XLogP4.54
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[7-(5-fluoro-2-methylphenyl)-5-piperidin-4-yloxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71115073
N-(4-fluorophenyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]propanamide
CID 146318359
2-((1R,3s,5S,6r)-3-((6-fluoroquinolin-4-yl)oxy)-bicyclo[3.1.0]hexan-6-yl)-N-(1-(trifluoromethyl)-1H-pyrazol-5-yl)butanamide
CID 146318403
N-(5-cyano-2-pyridinyl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide
CID 146318531
N-(5-cyanopyrazin-2-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide
CID 146318544
N-[5-cyclopentyloxy-7-(5-fluoro-2-methylphenyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71114980
N-[7-(5-fluoro-2-methylphenyl)-5-phenoxy-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 71115169
4-ethoxy-2-(4-fluorophenyl)-N-[[2-(1H-imidazol-2-yl)cyclopropyl]methyl]quinoline-7-carboxamide
CID 122424032
4-ethoxy-2-(4-fluorophenyl)-N-[3-(3-methylimidazol-4-yl)propyl]quinoline-7-carboxamide
CID 122431570
2-(3-ethoxyphenyl)-N-(4-methylpyridin-2-yl)quinoline-4-carboxamide
CID 1352003
2-[(1S,5R)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-([1,2,4]triazolo[1,5-a]pyridin-2-yl)propanamide
CID 146318358
2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-pyrazolo[1,5-a]pyridin-2-ylpropanamide
CID 146318362

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide?
The IUPAC name of 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide (CID 148594437) is 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide.
What is the SMILES notation for 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide?
The canonical SMILES for 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide is Cc1cnc(NC(=O)C(C2CC2)C2[C@H]3CC(Oc4ccnc5ccc(F)cc45)C[C@@H]23)cn1.
What is the InChIKey of 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide?
The InChIKey is NBHALIAIOLDNNY-PUAVIRJBSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-13-11-29-22(12-28-13)30-25(31)23(14-2-3-14)24-17-9-16(10-18(17)24)32-21-6-7-27-20-5-4-15(26)8-19(20)21/h4-8,11-12,14,16-18,23-24H,2-3,9-10H2,1H3,(H,29,30,31)/t16?,17-,18+,23?,24?.
What are the key properties of 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide?
2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide has a molecular weight of 432.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]-N-(5-methylpyrazin-2-yl)acetamide is sourced from PubChem (CID 148594437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).