CID 66649463

C34H33N3NaO6 — CID 66649463

IUPAC—
SMILESCCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1.[Na]
InChIInChI=1S/C34H33N3O6.Na/c1-3-42-30-15-22(14-27-31(30)20(2)19-37(27)25-5-6-25)32(39)36-10-8-34(9-11-36)16-28(38)26-13-21(4-7-29(26)43-34)23-12-24(33(40)41)18-35-17-23;/h4,7,12-15,17-19,25H,3,5-6,8-11,16H2,1-2H3,(H,40,41);
InChIKeyXGDZESWZOAZNAR-UHFFFAOYSA-N
MW602.64 g/mol
LogP5.70
Rot. Bonds6

About CID 66649463

CID 66649463 (PubChem CID 66649463) has the molecular formula C34H33N3NaO6 and a molecular weight of 602.64 g/mol.

Molecular Properties

Compound NameCID 66649463
PubChem CID66649463
Molecular FormulaC34H33N3NaO6
Molecular Weight602.64 g/mol
Exact Mass602.23
IUPAC Name—
SMILESCCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1.[Na]
InChIInChI=1S/C34H33N3O6.Na/c1-3-42-30-15-22(14-27-31(30)20(2)19-37(27)25-5-6-25)32(39)36-10-8-34(9-11-36)16-28(38)26-13-21(4-7-29(26)43-34)23-12-24(33(40)41)18-35-17-23;/h4,7,12-15,17-19,25H,3,5-6,8-11,16H2,1-2H3,(H,40,41);
InChIKeyXGDZESWZOAZNAR-UHFFFAOYSA-N
XLogP5.70
TPSA110.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.64
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1'-(1-cyclopropyl-4-methoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid
CID 24964679
CID 66649446
CID 66649446
CID 66782079
CID 66782079
5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate
CID 59761582
N-(2-amino-2-oxoethyl)-1'-(1-cyclopropyl-4-ethoxy-3-methylindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-carboxamide
CID 24965392
5-[1'-(1-cyclopropyl-4-hydroperoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid
CID 163945282
sodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride
CID 173050662
(1-cyclopropyl-4-ethoxy-3-methylindol-6-yl)-[6-(2H-tetrazol-5-yl)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl]methanone
CID 150433553
[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
4-[4-[6-(4-carbamoylphenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]-2,6-diethoxyphenyl]benzoic acid
CID 44621153
4-[4-[6-(3-carbamoylphenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]-2,6-diethoxyphenyl]benzoic acid
CID 44621154
3-[1-cyclopropyl-6-[6-(1-methylpyrazol-4-yl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]indol-4-yl]benzoic acid
CID 44621308

Frequently Asked Questions

What is the IUPAC name of CID 66649463?
The IUPAC name of CID 66649463 (CID 66649463) is not available.
What is the SMILES notation for CID 66649463?
The canonical SMILES for CID 66649463 is CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c1c(C)cn2C1CC1.[Na].
What is the InChIKey of CID 66649463?
The InChIKey is XGDZESWZOAZNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N3O6.Na/c1-3-42-30-15-22(14-27-31(30)20(2)19-37(27)25-5-6-25)32(39)36-10-8-34(9-11-36)16-28(38)26-13-21(4-7-29(26)43-34)23-12-24(33(40)41)18-35-17-23;/h4,7,12-15,17-19,25H,3,5-6,8-11,16H2,1-2H3,(H,40,41);.
What are the key properties of CID 66649463?
CID 66649463 has a molecular weight of 602.64 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66649463 is sourced from PubChem (CID 66649463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).