(4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene

C23H23N5O — CID 15667143

IUPAC(4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene
SMILESCCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](C)[C@H](c3ccccc3)N12
InChIInChI=1S/C23H23N5O/c1-3-14-29-23-26-22-19(15-24-28(22)18-12-8-5-9-13-18)21-25-16(2)20(27(21)23)17-10-6-4-7-11-17/h4-13,15-16,20H,3,14H2,1-2H3/t16-,20+/m0/s1
InChIKeySWJWVTBKVUVWHZ-OXJNMPFZSA-N
MW385.47 g/mol
LogP4.49
Rot. Bonds4

About (4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene

(4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene (PubChem CID 15667143) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is (4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene.

Molecular Properties

Compound Name(4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene
PubChem CID15667143
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name(4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene
SMILESCCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](C)[C@H](c3ccccc3)N12
InChIInChI=1S/C23H23N5O/c1-3-14-29-23-26-22-19(15-24-28(22)18-12-8-5-9-13-18)21-25-16(2)20(27(21)23)17-10-6-4-7-11-17/h4-13,15-16,20H,3,14H2,1-2H3/t16-,20+/m0/s1
InChIKeySWJWVTBKVUVWHZ-OXJNMPFZSA-N
XLogP4.49
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene with MolForge

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Related Compounds

1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
(R)-2-Benzyl-7-phenyl-5-propoxy-2,7-dihydro-3H-imidazo[1,2-c]pyrazolo[4,3-e]pyrimidine
CID 15667142
1-(4-methylphenyl)-5-[(4-morpholinylmethylene)amino]-1H-pyrazole-4-carbonitrile
CID 9587674
6-(Methylthio)-8-(p-tolyl)-2,3,4,8-tetrahydropyrazolo[4,3-e]pyrimido[1,2-c]pyrimidine
CID 42649467
5-phenethyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 1974591
(S)-2-Benzyl-7-phenyl-5-propoxy-2,7-dihydro-3H-imidazo[1,2-c]pyrazolo[4,3-e]pyrimidine
CID 15667141
(2R,3R)-2-Methyl-3,7-diphenyl-5-propoxy-2,7-dihydro-3H-imidazo[1,2-c]pyrazolo[4,3-e]pyrimidine
CID 15667144
(5-amino-1-phenyl-1H-pyrazol-4-yl)phenylmethanone O-methyloxime
CID 23647181
2,7-dihydro-7-phenyl-2-(phenylmethyl)-5-propoxy-3H-imidazo(1,2-c)pyrazolo(4,3-e)pyrimidine
CID 131694
5-(4-phenyl-1,2,3-triazol-1-yl)-1,3-diphenyl-1H-pyrazole
CID 11516075
N-(1-Phenethyl-4-piperidyl)-N-(1-phenylpyrazol-3-YL)propanamide
CID 5254668

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene?
The IUPAC name of (4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene (CID 15667143) is (4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene.
What is the SMILES notation for (4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene?
The canonical SMILES for (4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene is CCCOC1=Nc2c(cnn2-c2ccccc2)C2=N[C@@H](C)[C@H](c3ccccc3)N12.
What is the InChIKey of (4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene?
The InChIKey is SWJWVTBKVUVWHZ-OXJNMPFZSA-N. The full InChI is InChI=1S/C23H23N5O/c1-3-14-29-23-26-22-19(15-24-28(22)18-12-8-5-9-13-18)21-25-16(2)20(27(21)23)17-10-6-4-7-11-17/h4-13,15-16,20H,3,14H2,1-2H3/t16-,20+/m0/s1.
What are the key properties of (4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene?
(4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene has a molecular weight of 385.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-methyl-5,10-diphenyl-7-propoxy-3,6,8,10,11-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene is sourced from PubChem (CID 15667143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).