(12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one

C22H24FN3O — CID 138672932

IUPAC(12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one
SMILESO=C1c2c(n3c4c(cccc24)CCC3)CC[C@@H]1Cn1ccnc1CCCF
InChIInChI=1S/C22H24FN3O/c23-10-2-7-19-24-11-13-25(19)14-16-8-9-18-20(22(16)27)17-6-1-4-15-5-3-12-26(18)21(15)17/h1,4,6,11,13,16H,2-3,5,7-10,12,14H2/t16-/m1/s1
InChIKeyUQYYJHWTDMMBMN-MRXNPFEDSA-N
MW365.45 g/mol
LogP4.13
Rot. Bonds5

About (12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one

(12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one (PubChem CID 138672932) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is (12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one.

Molecular Properties

Compound Name(12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one
PubChem CID138672932
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name(12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one
SMILESO=C1c2c(n3c4c(cccc24)CCC3)CC[C@@H]1Cn1ccnc1CCCF
InChIInChI=1S/C22H24FN3O/c23-10-2-7-19-24-11-13-25(19)14-16-8-9-18-20(22(16)27)17-6-1-4-15-5-3-12-26(18)21(15)17/h1,4,6,11,13,16H,2-3,5,7-10,12,14H2/t16-/m1/s1
InChIKeyUQYYJHWTDMMBMN-MRXNPFEDSA-N
XLogP4.13
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one?
The IUPAC name of (12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one (CID 138672932) is (12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one.
What is the SMILES notation for (12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one?
The canonical SMILES for (12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one is O=C1c2c(n3c4c(cccc24)CCC3)CC[C@@H]1Cn1ccnc1CCCF.
What is the InChIKey of (12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one?
The InChIKey is UQYYJHWTDMMBMN-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24FN3O/c23-10-2-7-19-24-11-13-25(19)14-16-8-9-18-20(22(16)27)17-6-1-4-15-5-3-12-26(18)21(15)17/h1,4,6,11,13,16H,2-3,5,7-10,12,14H2/t16-/m1/s1.
What are the key properties of (12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one?
(12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one has a molecular weight of 365.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-12-[[2-(3-fluoropropyl)imidazol-1-yl]methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one is sourced from PubChem (CID 138672932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).