sodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride

C34H32N3NaO6 — CID 173050662

IUPACsodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride
SMILESCCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c(C3CC3)nccc12.[H-].[Na+]
InChIInChI=1S/C34H31N3O6.Na.H/c1-2-42-30-16-22(15-26-25(30)7-10-36-31(26)20-3-4-20)32(39)37-11-8-34(9-12-37)17-28(38)27-14-21(5-6-29(27)43-34)23-13-24(33(40)41)19-35-18-23;;/h5-7,10,13-16,18-20H,2-4,8-9,11-12,17H2,1H3,(H,40,41);;/q;+1;-1
InChIKeyHXSNFQXQGRTGBL-UHFFFAOYSA-N
MW601.64 g/mol
LogP3.03
Rot. Bonds6

About sodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride

sodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride (PubChem CID 173050662) has the molecular formula C34H32N3NaO6 and a molecular weight of 601.64 g/mol. Its IUPAC name is sodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride.

Molecular Properties

Compound Namesodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride
PubChem CID173050662
Molecular FormulaC34H32N3NaO6
Molecular Weight601.64 g/mol
Exact Mass601.22
IUPAC Namesodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride
SMILESCCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c(C3CC3)nccc12.[H-].[Na+]
InChIInChI=1S/C34H31N3O6.Na.H/c1-2-42-30-16-22(15-26-25(30)7-10-36-31(26)20-3-4-20)32(39)37-11-8-34(9-12-37)17-28(38)27-14-21(5-6-29(27)43-34)23-13-24(33(40)41)19-35-18-23;;/h5-7,10,13-16,18-20H,2-4,8-9,11-12,17H2,1H3,(H,40,41);;/q;+1;-1
InChIKeyHXSNFQXQGRTGBL-UHFFFAOYSA-N
XLogP3.03
TPSA118.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.64
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze sodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride 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

CID 66649446
CID 66649446
CID 66782079
CID 66782079
CID 66649463
CID 66649463
5-[1'-(1-cyclopropyl-4-ethoxyindole-6-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylate
CID 59761582
1'-(1-cyclopropyl-5-methoxyisoquinoline-7-carbonyl)-6-(5-oxo-4H-1,2,4-oxadiazol-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 135441346
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'-(8-cyclopropyl-4-methoxyquinoline-2-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride
CID 173050676
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
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
1'-(4-ethoxy-1-methoxyindole-6-carbonyl)-6-(2H-tetrazol-5-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 143724545
1'-(3-cyclopropyl-7-ethoxy-1,2-benzoxazole-5-carbonyl)-6-[1-[(2Z)-2-hydrazinylidenehydrazinyl]ethenyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 136619321

Frequently Asked Questions

What is the IUPAC name of sodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride?
The IUPAC name of 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) is sodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride.
What is the SMILES notation for sodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride?
The canonical SMILES for sodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride is CCOc1cc(C(=O)N2CCC3(CC2)CC(=O)c2cc(-c4cncc(C(=O)O)c4)ccc2O3)cc2c(C3CC3)nccc12.[H-].[Na+].
What is the InChIKey of sodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride?
The InChIKey is HXSNFQXQGRTGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31N3O6.Na.H/c1-2-42-30-16-22(15-26-25(30)7-10-36-31(26)20-3-4-20)32(39)37-11-8-34(9-12-37)17-28(38)27-14-21(5-6-29(27)43-34)23-13-24(33(40)41)19-35-18-23;;/h5-7,10,13-16,18-20H,2-4,8-9,11-12,17H2,1H3,(H,40,41);;/q;+1;-1.
What are the key properties of sodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride?
sodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride has a molecular weight of 601.64 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-[1'-(1-cyclopropyl-5-ethoxyisoquinoline-7-carbonyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-6-yl]pyridine-3-carboxylic acid;hydride is sourced from PubChem (CID 173050662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).