CID 176919052

C21H27N7O2Si- — CID 176919052

IUPAC—
SMILESCc1cc2nonc2cc1Nc1ncc2c(n1)N(C1CC[Si-](C)(C)CC1)CC(=O)N2C
InChIInChI=1S/C21H27N7O2Si/c1-13-9-16-17(26-30-25-16)10-15(13)23-21-22-11-18-20(24-21)28(12-19(29)27(18)2)14-5-7-31(3,4)8-6-14/h9-11,14H,5-8,12H2,1-4H3,(H,22,23,24)/q-1
InChIKeyRAGNBPALQGXULW-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.72
Rot. Bonds3

About CID 176919052

CID 176919052 (PubChem CID 176919052) has the molecular formula C21H27N7O2Si- and a molecular weight of 437.58 g/mol.

Molecular Properties

Compound NameCID 176919052
PubChem CID176919052
Molecular FormulaC21H27N7O2Si-
Molecular Weight437.58 g/mol
Exact Mass437.20
IUPAC Name—
SMILESCc1cc2nonc2cc1Nc1ncc2c(n1)N(C1CC[Si-](C)(C)CC1)CC(=O)N2C
InChIInChI=1S/C21H27N7O2Si/c1-13-9-16-17(26-30-25-16)10-15(13)23-21-22-11-18-20(24-21)28(12-19(29)27(18)2)14-5-7-31(3,4)8-6-14/h9-11,14H,5-8,12H2,1-4H3,(H,22,23,24)/q-1
InChIKeyRAGNBPALQGXULW-UHFFFAOYSA-N
XLogP3.72
TPSA100.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)amino]-8-(oxan-4-yl)-7H-pteridin-6-one
CID 164903225
8-cyclopentyl-2-(4-methoxyanilino)-5-methyl-7H-pteridin-6-one
CID 162677091
2-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-5-methyl-8-(oxan-4-ylmethyl)-7H-pteridin-6-one
CID 164903255
8-[(3S)-3-fluoro-1-bicyclo[2.1.0]pentanyl]-5-methyl-2-[(7-methylquinolin-6-yl)amino]-7H-pteridin-6-one
CID 177194160
4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methyl-N-pyridin-4-ylbenzamide
CID 143809817
9-cyclopentyl-5-methyl-2-(methylamino)-7,8-dihydropyrimido[4,5-b][1,4]diazepin-6-one
CID 59295112
N-cyclohexyl-4-[(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methylbenzamide
CID 143783250
4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 143809883
4-[(8-cyclopentyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-3-methoxy-N-[1-(piperidin-4-ylmethyl)azetidin-3-yl]benzamide;ethane
CID 171081876
8-(4-hydroxy-1-bicyclo[2.2.1]heptanyl)-5-methyl-2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-7H-pteridin-6-one
CID 176845867
4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 58154158
4-[(9-cyclopentyl-5-methyl-6-oxo-7,8-dihydropyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxybenzohydrazide
CID 163410586

Frequently Asked Questions

What is the IUPAC name of CID 176919052?
The IUPAC name of CID 176919052 (CID 176919052) is not available.
What is the SMILES notation for CID 176919052?
The canonical SMILES for CID 176919052 is Cc1cc2nonc2cc1Nc1ncc2c(n1)N(C1CC[Si-](C)(C)CC1)CC(=O)N2C.
What is the InChIKey of CID 176919052?
The InChIKey is RAGNBPALQGXULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2Si/c1-13-9-16-17(26-30-25-16)10-15(13)23-21-22-11-18-20(24-21)28(12-19(29)27(18)2)14-5-7-31(3,4)8-6-14/h9-11,14H,5-8,12H2,1-4H3,(H,22,23,24)/q-1.
What are the key properties of CID 176919052?
CID 176919052 has a molecular weight of 437.58 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176919052 is sourced from PubChem (CID 176919052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).