CID 134811365

C24H29FN4O3S — CID 134811365

IUPAC—
SMILESC[S+](=O)([O-])N1CCC(Cn2ccc3c(N4CCOCC4)nc(-c4ccc(F)cc4)cc32)CC1
InChIInChI=1S/C24H29FN4O3S/c1-33(30,31)29-10-6-18(7-11-29)17-28-9-8-21-23(28)16-22(19-2-4-20(25)5-3-19)26-24(21)27-12-14-32-15-13-27/h2-5,8-9,16,18H,6-7,10-15,17H2,1H3
InChIKeyZHWORGGVBJMETE-UHFFFAOYSA-N
MW472.59 g/mol
LogP3.57
Rot. Bonds5

About CID 134811365

CID 134811365 (PubChem CID 134811365) has the molecular formula C24H29FN4O3S and a molecular weight of 472.59 g/mol.

Molecular Properties

Compound NameCID 134811365
PubChem CID134811365
Molecular FormulaC24H29FN4O3S
Molecular Weight472.59 g/mol
Exact Mass472.19
IUPAC Name—
SMILESC[S+](=O)([O-])N1CCC(Cn2ccc3c(N4CCOCC4)nc(-c4ccc(F)cc4)cc32)CC1
InChIInChI=1S/C24H29FN4O3S/c1-33(30,31)29-10-6-18(7-11-29)17-28-9-8-21-23(28)16-22(19-2-4-20(25)5-3-19)26-24(21)27-12-14-32-15-13-27/h2-5,8-9,16,18H,6-7,10-15,17H2,1H3
InChIKeyZHWORGGVBJMETE-UHFFFAOYSA-N
XLogP3.57
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Fluorophenyl)-1-morpholinoethyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
CID 23647185
5-(7-methanesulfonyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-pyrimidin-2-ylamine
CID 44183094
6-(4-morpholinobenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444218
N-butyl-4-[2-(4-fluorophenyl)-7-morpholino-pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
CID 5275713
2-[[4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl]methyl]-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine
CID 9828521
4-[6-[4-[2-(3,4-Difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-yl]morpholine
CID 11454703
5-(2-Morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyridin-2-amine
CID 24889937
6-(4-morpholinobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444201
2-Morpholin-4-yl-7-pyridin-4-yl-4-pyrimidin-5-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 59244245
5-[7-[2-Fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]pyrimidin-2-amine
CID 59244276
5-(2-Morpholin-4-yl-7-phenyl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 59244679
4-[6-(6-Methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 70682714

Frequently Asked Questions

What is the IUPAC name of CID 134811365?
The IUPAC name of CID 134811365 (CID 134811365) is not available.
What is the SMILES notation for CID 134811365?
The canonical SMILES for CID 134811365 is C[S+](=O)([O-])N1CCC(Cn2ccc3c(N4CCOCC4)nc(-c4ccc(F)cc4)cc32)CC1.
What is the InChIKey of CID 134811365?
The InChIKey is ZHWORGGVBJMETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3S/c1-33(30,31)29-10-6-18(7-11-29)17-28-9-8-21-23(28)16-22(19-2-4-20(25)5-3-19)26-24(21)27-12-14-32-15-13-27/h2-5,8-9,16,18H,6-7,10-15,17H2,1H3.
What are the key properties of CID 134811365?
CID 134811365 has a molecular weight of 472.59 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134811365 is sourced from PubChem (CID 134811365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).