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

C24H22FN5O2 — CID 146318544

IUPACN-(5-cyanopyrazin-2-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide
SMILESCCC(C(=O)Nc1cnc(C#N)cn1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12
InChIInChI=1S/C24H22FN5O2/c1-2-16(24(31)30-22-12-28-14(10-26)11-29-22)23-17-8-15(9-18(17)23)32-21-5-6-27-20-4-3-13(25)7-19(20)21/h3-7,11-12,15-18,23H,2,8-9H2,1H3,(H,29,30,31)/t15?,16?,17-,18+,23?
InChIKeySSVJBKSTHIWMHM-MFGDNUPNSA-N
MW431.47 g/mol
LogP4.10
Rot. Bonds6

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

N-(5-cyanopyrazin-2-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide (PubChem CID 146318544) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is N-(5-cyanopyrazin-2-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide.

Molecular Properties

Compound NameN-(5-cyanopyrazin-2-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide
PubChem CID146318544
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC NameN-(5-cyanopyrazin-2-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide
SMILESCCC(C(=O)Nc1cnc(C#N)cn1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12
InChIInChI=1S/C24H22FN5O2/c1-2-16(24(31)30-22-12-28-14(10-26)11-29-22)23-17-8-15(9-18(17)23)32-21-5-6-27-20-4-3-13(25)7-19(20)21/h3-7,11-12,15-18,23H,2,8-9H2,1H3,(H,29,30,31)/t15?,16?,17-,18+,23?
InChIKeySSVJBKSTHIWMHM-MFGDNUPNSA-N
XLogP4.10
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyanopyrazin-2-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide?
The IUPAC name of N-(5-cyanopyrazin-2-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide (CID 146318544) is N-(5-cyanopyrazin-2-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide.
What is the SMILES notation for N-(5-cyanopyrazin-2-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide?
The canonical SMILES for N-(5-cyanopyrazin-2-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide is CCC(C(=O)Nc1cnc(C#N)cn1)C1[C@H]2CC(Oc3ccnc4ccc(F)cc34)C[C@@H]12.
What is the InChIKey of N-(5-cyanopyrazin-2-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide?
The InChIKey is SSVJBKSTHIWMHM-MFGDNUPNSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-2-16(24(31)30-22-12-28-14(10-26)11-29-22)23-17-8-15(9-18(17)23)32-21-5-6-27-20-4-3-13(25)7-19(20)21/h3-7,11-12,15-18,23H,2,8-9H2,1H3,(H,29,30,31)/t15?,16?,17-,18+,23?.
What are the key properties of N-(5-cyanopyrazin-2-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide?
N-(5-cyanopyrazin-2-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide has a molecular weight of 431.47 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyanopyrazin-2-yl)-2-[(1R,5S)-3-(6-fluoroquinolin-4-yl)oxy-6-bicyclo[3.1.0]hexanyl]butanamide is sourced from PubChem (CID 146318544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).