CID 66782079

C34H34N4NaO7 — CID 66782079

IUPAC—
SMILESCCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc(OCC)c1-c1cnn(C)c1.[Na]
InChIInChI=1S/C34H34N4O7.Na/c1-4-43-29-14-22(15-30(44-5-2)31(29)25-19-36-37(3)20-25)32(40)38-10-8-34(9-11-38)16-27(39)26-13-21(6-7-28(26)45-34)23-12-24(33(41)42)18-35-17-23;/h6-7,12-15,17-20H,4-5,8-11,16H2,1-3H3,(H,41,42);
InChIKeyUYJULUYFEUSSPF-UHFFFAOYSA-N
MW633.66 g/mol
LogP4.90
Rot. Bonds8

About CID 66782079

CID 66782079 (PubChem CID 66782079) has the molecular formula C34H34N4NaO7 and a molecular weight of 633.66 g/mol.

Molecular Properties

Compound NameCID 66782079
PubChem CID66782079
Molecular FormulaC34H34N4NaO7
Molecular Weight633.66 g/mol
Exact Mass633.23
IUPAC Name—
SMILESCCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc(OCC)c1-c1cnn(C)c1.[Na]
InChIInChI=1S/C34H34N4O7.Na/c1-4-43-29-14-22(15-30(44-5-2)31(29)25-19-36-37(3)20-25)32(40)38-10-8-34(9-11-38)16-27(39)26-13-21(6-7-28(26)45-34)23-12-24(33(41)42)18-35-17-23;/h6-7,12-15,17-20H,4-5,8-11,16H2,1-3H3,(H,41,42);
InChIKeyUYJULUYFEUSSPF-UHFFFAOYSA-N
XLogP4.90
TPSA133.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500633.66
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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 66649463
CID 66649463
CID 66649446
CID 66649446
4-[4-[6-(4-carbamoylphenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]-2,6-diethoxyphenyl]benzoic acid
CID 44621153
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
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
4-[4-[6-(3-carbamoylphenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]-2,6-diethoxyphenyl]benzoic acid
CID 44621154
5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate
CID 59761582
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
5-[1'-(1-cyclopropyl-4-hydroperoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid
CID 163945282
3-[4-[6-(5-carbamoyl-2-pyridinyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl]-2,6-diethoxyphenyl]benzoate
CID 58208681
CID 66782062
CID 66782062

Frequently Asked Questions

What is the IUPAC name of CID 66782079?
The IUPAC name of CID 66782079 (CID 66782079) is not available.
What is the SMILES notation for CID 66782079?
The canonical SMILES for CID 66782079 is CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc(OCC)c1-c1cnn(C)c1.[Na].
What is the InChIKey of CID 66782079?
The InChIKey is UYJULUYFEUSSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O7.Na/c1-4-43-29-14-22(15-30(44-5-2)31(29)25-19-36-37(3)20-25)32(40)38-10-8-34(9-11-38)16-27(39)26-13-21(6-7-28(26)45-34)23-12-24(33(41)42)18-35-17-23;/h6-7,12-15,17-20H,4-5,8-11,16H2,1-3H3,(H,41,42);.
What are the key properties of CID 66782079?
CID 66782079 has a molecular weight of 633.66 g/mol, XLogP of 4.90, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 66782079 is sourced from PubChem (CID 66782079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).