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-pentaen-11-yl]methanone;hydroxide

C17H19N7NaO2- — CID 140756236

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-pentaen-11-yl]methanone;hydroxide
SMILESCCn1c([C-]=O)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21.[Na+].[OH-]
InChIInChI=1S/C17H18N7O.Na.H2O/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;;/h6-7,9H,5H2,1-4H3,(H,19,20,21);;1H2/q-1;+1;/p-1
InChIKeyHNWLJZDHSONLPP-UHFFFAOYSA-M
MW376.38 g/mol
LogP-0.99
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-pentaen-11-yl]methanone;hydroxide

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-pentaen-11-yl]methanone;hydroxide (PubChem CID 140756236) has the molecular formula C17H19N7NaO2- and a molecular weight of 376.38 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-pentaen-11-yl]methanone;hydroxide.

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-pentaen-11-yl]methanone;hydroxide
PubChem CID140756236
Molecular FormulaC17H19N7NaO2-
Molecular Weight376.38 g/mol
Exact Mass376.15
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-pentaen-11-yl]methanone;hydroxide
SMILESCCn1c([C-]=O)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21.[Na+].[OH-]
InChIInChI=1S/C17H18N7O.Na.H2O/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;;/h6-7,9H,5H2,1-4H3,(H,19,20,21);;1H2/q-1;+1;/p-1
InChIKeyHNWLJZDHSONLPP-UHFFFAOYSA-M
XLogP-0.99
TPSA112.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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-pentaen-11-yl]methanone;hydroxide with MolForge

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Related Compounds

Bms-911543
CID 50922691
Pimitespib
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2-[6-(diethylamino)pyridin-3-yl]-1-[(1-ethyl-1H-pyrazol-3-yl)methyl]-N-methyl-1H-1,3-benzodiazole-5-carboxamide
CID 138466007
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-(1H-1,2,3,4-tetrazol-1-ylmethyl)-1H-pyrazole-5-carboxamide
CID 23646205
7-[[4-[4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-~{N},3-dimethyl-imidazo[1,5-a]pyridine-1-carboxamide
CID 155925933
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-pyrrolidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925937
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-(5-((2-(2,2-Dimethylpyrrolidin-1-yl)ethyl)carbamoyl)-2-fluorophenyl)-7-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283395
7-[5-Methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604256
(R)-3-Methyl-7-(5-methyl-2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)-2-((6-methylpyridin-2-yl)methyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
CID 122604287
(3S)-3-methyl-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604354

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-pentaen-11-yl]methanone;hydroxide?
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-pentaen-11-yl]methanone;hydroxide (CID 140756236) 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-pentaen-11-yl]methanone;hydroxide.
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-pentaen-11-yl]methanone;hydroxide?
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-pentaen-11-yl]methanone;hydroxide is CCn1c([C-]=O)cc2c3c(ncn3C)c(Nc3cc(C)n(C)n3)nc21.[Na+].[OH-].
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-pentaen-11-yl]methanone;hydroxide?
The InChIKey is HNWLJZDHSONLPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H18N7O.Na.H2O/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;;/h6-7,9H,5H2,1-4H3,(H,19,20,21);;1H2/q-1;+1;/p-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-pentaen-11-yl]methanone;hydroxide?
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-pentaen-11-yl]methanone;hydroxide has a molecular weight of 376.38 g/mol, XLogP of -0.99, 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-pentaen-11-yl]methanone;hydroxide is sourced from PubChem (CID 140756236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).