CID 66782610

C27H28N8NaO4 — CID 66782610

IUPAC—
SMILESCCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(Nc4ccnn4C)ccc2O3)cc(-c2nn[nH]n2)c1.[Na]
InChIInChI=1S/C27H28N8O4.Na/c1-3-38-20-13-17(25-30-32-33-31-25)12-18(14-20)26(37)35-10-7-27(8-11-35)16-22(36)21-15-19(4-5-23(21)39-27)29-24-6-9-28-34(24)2;/h4-6,9,12-15,29H,3,7-8,10-11,16H2,1-2H3,(H,30,31,32,33);
InChIKeyQNQHWTBEBUALRK-UHFFFAOYSA-N
MW551.56 g/mol
LogP3.00
Rot. Bonds6

About CID 66782610

CID 66782610 (PubChem CID 66782610) has the molecular formula C27H28N8NaO4 and a molecular weight of 551.56 g/mol.

Molecular Properties

Compound NameCID 66782610
PubChem CID66782610
Molecular FormulaC27H28N8NaO4
Molecular Weight551.56 g/mol
Exact Mass551.21
IUPAC Name—
SMILESCCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(Nc4ccnn4C)ccc2O3)cc(-c2nn[nH]n2)c1.[Na]
InChIInChI=1S/C27H28N8O4.Na/c1-3-38-20-13-17(25-30-32-33-31-25)12-18(14-20)26(37)35-10-7-27(8-11-35)16-22(36)21-15-19(4-5-23(21)39-27)29-24-6-9-28-34(24)2;/h4-6,9,12-15,29H,3,7-8,10-11,16H2,1-2H3,(H,30,31,32,33);
InChIKeyQNQHWTBEBUALRK-UHFFFAOYSA-N
XLogP3.00
TPSA140.15 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.56
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze CID 66782610 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-[3-ethoxy-5-(1-methyltetrazol-5-yl)benzoyl]-6-(1H-pyrazol-5-ylamino)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 143724675
6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 66649469
[1-cyclopropyl-4-ethoxy-6-[6-[(2-methylpyrazol-3-yl)amino]-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]indol-3-yl] hydrogen carbonate
CID 70893657
1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 143724545
CID 66782062
CID 66782062
CID 66782079
CID 66782079
1'-(1-methyl-3-phenylindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 25001895
4-[4-[6-(4-carbamoylphenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]-2,6-diethoxyphenyl]benzoic acid
CID 44621153
5-[1'-[3-ethoxy-5-methoxy-4-(1-methylpyrazol-4-yl)benzoyl]-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]-2-fluorobenzoic acid
CID 24998399
CID 66649446
CID 66649446
4-[4-[6-(3-carbamoylphenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]-2,6-diethoxyphenyl]benzoic acid
CID 44621154
6-(1,1-dihydroxy-1,4-thiazinan-4-yl)-1'-[3-ethoxy-5-methoxy-4-(1-methylpyrazol-4-yl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 66781930

Frequently Asked Questions

What is the IUPAC name of CID 66782610?
The IUPAC name of CID 66782610 (CID 66782610) is not available.
What is the SMILES notation for CID 66782610?
The canonical SMILES for CID 66782610 is CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(Nc4ccnn4C)ccc2O3)cc(-c2nn[nH]n2)c1.[Na].
What is the InChIKey of CID 66782610?
The InChIKey is QNQHWTBEBUALRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O4.Na/c1-3-38-20-13-17(25-30-32-33-31-25)12-18(14-20)26(37)35-10-7-27(8-11-35)16-22(36)21-15-19(4-5-23(21)39-27)29-24-6-9-28-34(24)2;/h4-6,9,12-15,29H,3,7-8,10-11,16H2,1-2H3,(H,30,31,32,33);.
What are the key properties of CID 66782610?
CID 66782610 has a molecular weight of 551.56 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66782610 is sourced from PubChem (CID 66782610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).