CID 156850698

C25H27N5O3Si- — CID 156850698

IUPAC—
SMILESC[Si-](C)(C)CCOCn1nc(-c2cnco2)c2cc(OC3CCc4cc(C#N)cnc43)ccc21
InChIInChI=1S/C25H27N5O3Si/c1-34(2,3)9-8-31-16-30-21-6-5-19(11-20(21)25(29-30)23-14-27-15-32-23)33-22-7-4-18-10-17(12-26)13-28-24(18)22/h5-6,10-11,13-15,22H,4,7-9,16H2,1-3H3/q-1
InChIKeyBMAGKISAZYFBCY-UHFFFAOYSA-N
MW473.61 g/mol
LogP5.34
Rot. Bonds8

About CID 156850698

CID 156850698 (PubChem CID 156850698) has the molecular formula C25H27N5O3Si- and a molecular weight of 473.61 g/mol.

Molecular Properties

Compound NameCID 156850698
PubChem CID156850698
Molecular FormulaC25H27N5O3Si-
Molecular Weight473.61 g/mol
Exact Mass473.19
IUPAC Name—
SMILESC[Si-](C)(C)CCOCn1nc(-c2cnco2)c2cc(OC3CCc4cc(C#N)cnc43)ccc21
InChIInChI=1S/C25H27N5O3Si/c1-34(2,3)9-8-31-16-30-21-6-5-19(11-20(21)25(29-30)23-14-27-15-32-23)33-22-7-4-18-10-17(12-26)13-28-24(18)22/h5-6,10-11,13-15,22H,4,7-9,16H2,1-3H3/q-1
InChIKeyBMAGKISAZYFBCY-UHFFFAOYSA-N
XLogP5.34
TPSA98.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.61
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-2,3-dihydro-1H-indene-5-carbonitrile
CID 166727811
5-(1-Methylpyrazol-4-yl)-3-(3-propan-2-yloxyphenyl)furo[3,2-b]pyridine
CID 135567466
4-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 156850751
6-fluoro-1-[1-(hydroxymethyl)-3-(2-methyl-1,3-oxazol-5-yl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 163885912
4,6-difluoro-1-[3-(1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 168727877
4-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 168727910
6-fluoro-1-[3-(2-methyl-1,3-oxazol-5-yl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]oxy-2,3-dihydro-1H-indene-5-carbonitrile
CID 168728002
(7S)-2,4-difluoro-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 169801479
(7R)-2,4-difluoro-7-[[3-(1,3-oxazol-5-yl)-1H-indazol-5-yl]oxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 169801482
7-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenoxy]-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 156850501
7-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 156850506
7-[4-amino-3-(1,3-oxazole-5-carboximidoyl)phenoxy]-6,7-dihydro-5H-cyclopenta[c]pyridazine-3-carbonitrile
CID 156850645

Frequently Asked Questions

What is the IUPAC name of CID 156850698?
The IUPAC name of CID 156850698 (CID 156850698) is not available.
What is the SMILES notation for CID 156850698?
The canonical SMILES for CID 156850698 is C[Si-](C)(C)CCOCn1nc(-c2cnco2)c2cc(OC3CCc4cc(C#N)cnc43)ccc21.
What is the InChIKey of CID 156850698?
The InChIKey is BMAGKISAZYFBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3Si/c1-34(2,3)9-8-31-16-30-21-6-5-19(11-20(21)25(29-30)23-14-27-15-32-23)33-22-7-4-18-10-17(12-26)13-28-24(18)22/h5-6,10-11,13-15,22H,4,7-9,16H2,1-3H3/q-1.
What are the key properties of CID 156850698?
CID 156850698 has a molecular weight of 473.61 g/mol, XLogP of 5.34, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156850698 is sourced from PubChem (CID 156850698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).