N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide

C24H24F2N4O — CID 146318370

IUPACN-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide
SMILESCC(C(=O)Nc1ccc(C2CC2)nc1)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12
InChIInChI=1S/C24H24F2N4O/c1-12(24(31)29-14-4-5-20(27-10-14)13-2-3-13)23-16-6-15(7-17(16)23)30-11-28-21-8-18(25)19(26)9-22(21)30/h4-5,8-13,15-17,23H,2-3,6-7H2,1H3,(H,29,31)/t12?,15?,16-,17+,23?
InChIKeyVFDLMPJMFMHAEN-FKJGDGODSA-N
MW422.48 g/mol
LogP5.06
Rot. Bonds5

About N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide

N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide (PubChem CID 146318370) has the molecular formula C24H24F2N4O and a molecular weight of 422.48 g/mol. Its IUPAC name is N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide.

Molecular Properties

Compound NameN-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide
PubChem CID146318370
Molecular FormulaC24H24F2N4O
Molecular Weight422.48 g/mol
Exact Mass422.19
IUPAC NameN-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide
SMILESCC(C(=O)Nc1ccc(C2CC2)nc1)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12
InChIInChI=1S/C24H24F2N4O/c1-12(24(31)29-14-4-5-20(27-10-14)13-2-3-13)23-16-6-15(7-17(16)23)30-11-28-21-8-18(25)19(26)9-22(21)30/h4-5,8-13,15-17,23H,2-3,6-7H2,1H3,(H,29,31)/t12?,15?,16-,17+,23?
InChIKeyVFDLMPJMFMHAEN-FKJGDGODSA-N
XLogP5.06
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide?
The IUPAC name of N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide (CID 146318370) is N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide.
What is the SMILES notation for N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide?
The canonical SMILES for N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide is CC(C(=O)Nc1ccc(C2CC2)nc1)C1[C@H]2CC(n3cnc4cc(F)c(F)cc43)C[C@@H]12.
What is the InChIKey of N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide?
The InChIKey is VFDLMPJMFMHAEN-FKJGDGODSA-N. The full InChI is InChI=1S/C24H24F2N4O/c1-12(24(31)29-14-4-5-20(27-10-14)13-2-3-13)23-16-6-15(7-17(16)23)30-11-28-21-8-18(25)19(26)9-22(21)30/h4-5,8-13,15-17,23H,2-3,6-7H2,1H3,(H,29,31)/t12?,15?,16-,17+,23?.
What are the key properties of N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide?
N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide has a molecular weight of 422.48 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropyl-3-pyridinyl)-2-[(1R,5S)-3-(5,6-difluorobenzimidazol-1-yl)-6-bicyclo[3.1.0]hexanyl]propanamide is sourced from PubChem (CID 146318370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).