4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one

C51H49F3N6O3 — CID 91422879

IUPAC4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
SMILESCC(C)N1CCc2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc3n2C)C1.COc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)cc1
InChIInChI=1S/C26H25F3N4O.C25H24N2O2/c1-16(2)32-10-9-23-21(15-32)20-6-5-19(13-24(20)31(23)3)33-11-8-17(12-25(33)34)22-7-4-18(14-30-22)26(27,28)29;1-26-23-6-4-3-5-21(23)22-12-9-19(16-24(22)26)27-14-13-18(15-25(27)28)17-7-10-20(29-2)11-8-17/h4-8,11-14,16H,9-10,15H2,1-3H3;7-16H,3-6H2,1-2H3
InChIKeyOTNTVQNVSZZFJR-UHFFFAOYSA-N
MW850.99 g/mol
LogP10.06
Rot. Bonds6

About 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one

4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one (PubChem CID 91422879) has the molecular formula C51H49F3N6O3 and a molecular weight of 850.99 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
PubChem CID91422879
Molecular FormulaC51H49F3N6O3
Molecular Weight850.99 g/mol
Exact Mass850.38
IUPAC Name4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
SMILESCC(C)N1CCc2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc3n2C)C1.COc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)cc1
InChIInChI=1S/C26H25F3N4O.C25H24N2O2/c1-16(2)32-10-9-23-21(15-32)20-6-5-19(13-24(20)31(23)3)33-11-8-17(12-25(33)34)22-7-4-18(14-30-22)26(27,28)29;1-26-23-6-4-3-5-21(23)22-12-9-19(16-24(22)26)27-14-13-18(15-25(27)28)17-7-10-20(29-2)11-8-17/h4-8,11-14,16H,9-10,15H2,1-3H3;7-16H,3-6H2,1-2H3
InChIKeyOTNTVQNVSZZFJR-UHFFFAOYSA-N
XLogP10.06
TPSA79.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500850.99
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one (CID 91422879) is 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one is CC(C)N1CCc2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc3n2C)C1.COc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCCC5)c(=O)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
The InChIKey is OTNTVQNVSZZFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O.C25H24N2O2/c1-16(2)32-10-9-23-21(15-32)20-6-5-19(13-24(20)31(23)3)33-11-8-17(12-25(33)34)22-7-4-18(14-30-22)26(27,28)29;1-26-23-6-4-3-5-21(23)22-12-9-19(16-24(22)26)27-14-13-18(15-25(27)28)17-7-10-20(29-2)11-8-17/h4-8,11-14,16H,9-10,15H2,1-3H3;7-16H,3-6H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one?
4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one has a molecular weight of 850.99 g/mol, XLogP of 10.06, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-(9-methyl-5,6,7,8-tetrahydrocarbazol-2-yl)pyridin-2-one;1-(5-methyl-2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-7-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one is sourced from PubChem (CID 91422879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).