6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one

C25H29NO — CID 77405614

IUPAC6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one
SMILESCC1CC2C3=CC=C(c4cccnc4)C3(C)CCC2C2(C)CCC(=O)C=C12
InChIInChI=1S/C25H29NO/c1-16-13-19-21-7-6-20(17-5-4-12-26-15-17)24(21,2)11-9-22(19)25(3)10-8-18(27)14-23(16)25/h4-7,12,14-16,19,22H,8-11,13H2,1-3H3
InChIKeyKBNYKBIYBRZPFU-UHFFFAOYSA-N
MW359.51 g/mol
LogP5.77
Rot. Bonds1

About 6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one

6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one (PubChem CID 77405614) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one.

Molecular Properties

Compound Name6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one
PubChem CID77405614
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one
SMILESCC1CC2C3=CC=C(c4cccnc4)C3(C)CCC2C2(C)CCC(=O)C=C12
InChIInChI=1S/C25H29NO/c1-16-13-19-21-7-6-20(17-5-4-12-26-15-17)24(21,2)11-9-22(19)25(3)10-8-18(27)14-23(16)25/h4-7,12,14-16,19,22H,8-11,13H2,1-3H3
InChIKeyKBNYKBIYBRZPFU-UHFFFAOYSA-N
XLogP5.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one with MolForge

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Related Compounds

10,13-dimethyl-17-pyridin-3-yl-6,7,8,9,11,12-hexahydrocyclopenta[a]phenanthren-3-one
CID 77405765
17-(5-amino-3-pyridinyl)-10,13-dimethyl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one
CID 77405515
[(3S,8R,9S,10R,13S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12-octahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-chloroacetate
CID 88584411
(8R,9S,10R,13S)-17-(5-amino-3-pyridinyl)-10,13-dimethyl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one;(8R,9S,10R,13S)-17-(5-chloro-3-pyridinyl)-10,13-dimethyl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one
CID 157260383
(10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12-octahydro-1H-cyclopenta[a]phenanthren-3-yl) N-ethylcarbamate
CID 77405289
N-[(8R,9S,10R,13S,14S)-17-[5-(difluoromethyl)-3-pyridinyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine;N-[(1S,2R,11R,12S,16S)-2,16-dimethyl-15-pyridin-3-yl-5-pentacyclo[9.7.0.02,8.06,8.012,16]octadec-14-enylidene]hydroxylamine;N-[(1R,10R,11S,14S,18S)-15-(5-fluoro-3-pyridinyl)-10,14-dimethyl-7-pentacyclo[9.7.0.02,4.05,10.014,18]octadeca-5,15-dienylidene]hydroxylamine;N-[(8R,9S,10R,13S)-17-(5-fluoro-3-pyridinyl)-6,10,13-trimethyl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine
CID 162172485
(8R,9R,10R,13S,14S)-7,10,13-trimethyl-17-pyridin-3-yl-1,2,4,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
CID 67225696
(3aS,9aR,9bS,11aS)-9a,11a-dimethyl-1-pyridin-3-yl-3,3a,3b,4,6,8,9,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one
CID 46205268
5,10a,12a-trimethyl-1-pyridin-3-yl-2,3,3a,3b,4,5,8,9,10,10b,11,12-dodecahydro-1H-indeno[4,5-i][3]benzazepin-7-one
CID 77405712
2,16-dimethyl-15-pyridin-3-yl-8-azatetracyclo[9.7.0.02,8.012,16]octadec-14-ene-5,7-dione
CID 76533427
2,4,10,13-tetramethyl-17-pyridin-3-yl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one
CID 77405341
(1R,2S,4S,10R,11S,14S,18S)-10,14-dimethyl-16-azapentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene-7,15-dione
CID 67742464

Frequently Asked Questions

What is the IUPAC name of 6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one?
The IUPAC name of 6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one (CID 77405614) is 6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one.
What is the SMILES notation for 6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one?
The canonical SMILES for 6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one is CC1CC2C3=CC=C(c4cccnc4)C3(C)CCC2C2(C)CCC(=O)C=C12.
What is the InChIKey of 6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one?
The InChIKey is KBNYKBIYBRZPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-16-13-19-21-7-6-20(17-5-4-12-26-15-17)24(21,2)11-9-22(19)25(3)10-8-18(27)14-23(16)25/h4-7,12,14-16,19,22H,8-11,13H2,1-3H3.
What are the key properties of 6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one?
6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one has a molecular weight of 359.51 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,13-trimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12-octahydrocyclopenta[a]phenanthren-3-one is sourced from PubChem (CID 77405614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).