sodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate

C18H22N7NaO2 — CID 144800693

IUPACsodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate
SMILESCCn1c(C=O)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21.C[O-].[Na+]
InChIInChI=1S/C17H19N7O.CH3O.Na/c1-5-24-11(8-25)7-12-15-14(18-9-22(15)3)16(20-17(12)24)19-13-6-10(2)23(4)21-13;1-2;/h6-9H,5H2,1-4H3,(H,19,20,21);1H3;/q;-1;+1
InChIKeyIRYIGPQLLCJRIE-UHFFFAOYSA-N
MW391.41 g/mol
LogP-1.48
Rot. Bonds4

About sodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate

sodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate (PubChem CID 144800693) has the molecular formula C18H22N7NaO2 and a molecular weight of 391.41 g/mol. Its IUPAC name is sodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate.

Molecular Properties

Compound Namesodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate
PubChem CID144800693
Molecular FormulaC18H22N7NaO2
Molecular Weight391.41 g/mol
Exact Mass391.17
IUPAC Namesodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate
SMILESCCn1c(C=O)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21.C[O-].[Na+]
InChIInChI=1S/C17H19N7O.CH3O.Na/c1-5-24-11(8-25)7-12-15-14(18-9-22(15)3)16(20-17(12)24)19-13-6-10(2)23(4)21-13;1-2;/h6-9H,5H2,1-4H3,(H,19,20,21);1H3;/q;-1;+1
InChIKeyIRYIGPQLLCJRIE-UHFFFAOYSA-N
XLogP-1.48
TPSA105.62 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 5-1.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze sodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate 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

Bms-911543
CID 50922691
Pimitespib
CID 67501411
3-methyl-4-{4-[4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl]-3-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl}benzamide
CID 67501021
(R)-N-(1-Benzyl-1H-pyrazol-4-yl)-9-methyl-6-oxo-6,7,8,9-tetrahydropyrido[3',2':4,5]pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 53230343
N,N-Dicyclopropyl-6-Ethyl-4-[(3-Methoxypropyl)amino]-1-Methyl-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine-7-Carboxamide
CID 91827514
(13R)-N-[1-[(4-aminophenyl)methyl]pyrazol-4-yl]-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 130338820
2-(2-Methoxyethyl)-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 137644714
3-[7-[4-[(dimethylamino)methyl]pyrazol-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,1-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 162653191
7-[[4-[4-[(2S,4R)-4-fluoro-1-methylpyrrolidin-2-yl]pyrazol-1-yl]pyrimidin-2-yl]amino]-N,3-dimethylimidazo[1,5-a]pyridine-1-carboxamide
CID 162672157
N,N-dicyclopropyl-7-[(1,5-dimethyl-1,2,4-triazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
CID 50991562
N,N-dicyclopropyl-10-ethyl-3-methyl-7-[(5-methyl-1H-pyrazol-3-yl)amino]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxamide
CID 58180521
N,N-dicyclopropyl-6-ethyl-4-(1-ethyl-5-methyl-1H-pyrazol-3-ylamino)-1-methyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine-7-carboxamide
CID 58180623

Frequently Asked Questions

What is the IUPAC name of sodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate?
The IUPAC name of sodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate (CID 144800693) is sodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate.
What is the SMILES notation for sodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate?
The canonical SMILES for sodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate is CCn1c(C=O)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21.C[O-].[Na+].
What is the InChIKey of sodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate?
The InChIKey is IRYIGPQLLCJRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O.CH3O.Na/c1-5-24-11(8-25)7-12-15-14(18-9-22(15)3)16(20-17(12)24)19-13-6-10(2)23(4)21-13;1-2;/h6-9H,5H2,1-4H3,(H,19,20,21);1H3;/q;-1;+1.
What are the key properties of sodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate?
sodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate has a molecular weight of 391.41 g/mol, XLogP of -1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carbaldehyde;methanolate is sourced from PubChem (CID 144800693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).