4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one

C28H28FN4O2- — CID 123398529

IUPAC4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
SMILESC[C-](C)n1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)C1CCC(CN1)C2
InChIInChI=1S/C28H28FN4O2/c1-17(2)33-25-12-21(6-7-23(25)28-24-8-3-18(14-31-24)11-26(28)33)32-10-9-22(13-27(32)34)35-16-20-5-4-19(29)15-30-20/h4-7,9-10,12-13,15,18,24,31H,3,8,11,14,16H2,1-2H3/q-1
InChIKeyQYXZDFJRDBCKJR-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.92
Rot. Bonds5

About 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one

4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one (PubChem CID 123398529) has the molecular formula C28H28FN4O2- and a molecular weight of 471.56 g/mol. Its IUPAC name is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one.

Molecular Properties

Compound Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
PubChem CID123398529
Molecular FormulaC28H28FN4O2-
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC Name4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
SMILESC[C-](C)n1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)C1CCC(CN1)C2
InChIInChI=1S/C28H28FN4O2/c1-17(2)33-25-12-21(6-7-23(25)28-24-8-3-18(14-31-24)11-26(28)33)32-10-9-22(13-27(32)34)35-16-20-5-4-19(29)15-30-20/h4-7,9-10,12-13,15,18,24,31H,3,8,11,14,16H2,1-2H3/q-1
InChIKeyQYXZDFJRDBCKJR-UHFFFAOYSA-N
XLogP4.92
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-(Benzyloxy)-1-(10-methyl-1,2,3,4,5,10-hexahydroazepino[3,4-b]indol-8-yl)pyridin-2(1H)-one
CID 49869488
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(9-methyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one
CID 50903067
1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-(trifluoromethyl)benzyloxy)pyridin-2(1H)-one
CID 44194853
4-(Benzyloxy)-1-(9-methyl-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indol-7-yl)pyridin-2(1h)-one
CID 50908737
ALB-127158(a)
CID 44193892
1-[3-[1-(2-methoxyethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
CID 56660001
4-[(2-fluorophenyl)methoxy]-1-[3-(1-methylazetidin-3-yl)-1H-indol-6-yl]pyridin-2-one
CID 56666883
1-[3-[1-(2-fluoroethyl)azetidin-3-yl]-1H-indol-6-yl]-4-phenylmethoxypyridin-2-one
CID 56673836
1-(3-Methyl-3,12-diazatetracyclo[10.2.2.02,10.04,9]hexadeca-2(10),4(9),5,7-tetraen-6-yl)-4-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]pyridin-2-one
CID 49868664
4-(benzyloxy)-1-(6-methyl-1,2,3,4,5,6-hexahydroazepino[4,3-b]indol-8-yl)pyridin-2(1H)-one
CID 49868670
4-[(5-Fluoro-2-pyridinyl)methoxy]-1-(6-methyl-3-propan-2-yl-1,2,4,5-tetrahydroazepino[4,5-b]indol-8-yl)pyridin-2-one
CID 49868676
1-(2,3,5,10,11,11a-hexahydro-1H-indolizino[7,6-b]indol-8-yl)-4-[(5-fluoro-2-pyridinyl)methoxy]pyridin-2-one
CID 49868781

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
The IUPAC name of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one (CID 123398529) is 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one.
What is the SMILES notation for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
The canonical SMILES for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one is C[C-](C)n1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)C1CCC(CN1)C2.
What is the InChIKey of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
The InChIKey is QYXZDFJRDBCKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN4O2/c1-17(2)33-25-12-21(6-7-23(25)28-24-8-3-18(14-31-24)11-26(28)33)32-10-9-22(13-27(32)34)35-16-20-5-4-19(29)15-30-20/h4-7,9-10,12-13,15,18,24,31H,3,8,11,14,16H2,1-2H3/q-1.
What are the key properties of 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one?
4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one has a molecular weight of 471.56 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-pyridinyl)methoxy]-1-(9-propan-2-yl-9,14-diazatetracyclo[10.2.2.02,10.03,8]hexadeca-2(10),3(8),4,6-tetraen-6-yl)pyridin-2-one is sourced from PubChem (CID 123398529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).