potassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine

C24H27KN5O- — CID 163250519

IUPACpotassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine
SMILESCc1cccc(-c2nn3c(c2-c2ccc(=N/C=[C-]/OCCCCN)[cH-]c2)CCC3)n1.[K+]
InChIInChI=1S/C24H27N5O.K/c1-18-6-4-7-21(27-18)24-23(22-8-5-15-29(22)28-24)19-9-11-20(12-10-19)26-14-17-30-16-3-2-13-25;/h4,6-7,9-12,14H,2-3,5,8,13,15-16,25H2,1H3;/q-2;+1
InChIKeyCMJDXXBRXHTEPT-UHFFFAOYSA-N
MW440.61 g/mol
LogP0.52
Rot. Bonds8

About potassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine

potassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine (PubChem CID 163250519) has the molecular formula C24H27KN5O- and a molecular weight of 440.61 g/mol. Its IUPAC name is potassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine.

Molecular Properties

Compound Namepotassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine
PubChem CID163250519
Molecular FormulaC24H27KN5O-
Molecular Weight440.61 g/mol
Exact Mass440.19
IUPAC Namepotassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine
SMILESCc1cccc(-c2nn3c(c2-c2ccc(=N/C=[C-]/OCCCCN)[cH-]c2)CCC3)n1.[K+]
InChIInChI=1S/C24H27N5O.K/c1-18-6-4-7-21(27-18)24-23(22-8-5-15-29(22)28-24)19-9-11-20(12-10-19)26-14-17-30-16-3-2-13-25;/h4,6-7,9-12,14H,2-3,5,8,13,15-16,25H2,1H3;/q-2;+1
InChIKeyCMJDXXBRXHTEPT-UHFFFAOYSA-N
XLogP0.52
TPSA78.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze potassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine with MolForge

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Related Compounds

4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine
CID 163250520
2-(6-methyl-2-pyridinyl)-3-thiophen-3-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 10085133
2-methyl-2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-2-pyridinyl]sulfanyl]propan-1-amine
CID 66678814
4-[7-[2-[6-(difluoromethyl)-2-pyridinyl]-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxalin-2-yl]oxybutan-1-amine
CID 163250580
6-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1-propylbenzimidazole
CID 90695389
7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxylic acid
CID 69204158
3-(1-benzofuran-2-yl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 10041399
(E)-3-[6-methylidene-3-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-1H-pyridin-2-yl]prop-2-enamide
CID 155215571
6-isocyano-4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline
CID 59323496
5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-indole
CID 11507696
3-[[4-[[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]oxy]pyrimidin-2-yl]amino]benzamide
CID 163567225
N,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine
CID 45487444

Frequently Asked Questions

What is the IUPAC name of potassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine?
The IUPAC name of potassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine (CID 163250519) is potassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine.
What is the SMILES notation for potassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine?
The canonical SMILES for potassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine is Cc1cccc(-c2nn3c(c2-c2ccc(=N/C=[C-]/OCCCCN)[cH-]c2)CCC3)n1.[K+].
What is the InChIKey of potassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine?
The InChIKey is CMJDXXBRXHTEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O.K/c1-18-6-4-7-21(27-18)24-23(22-8-5-15-29(22)28-24)19-9-11-20(12-10-19)26-14-17-30-16-3-2-13-25;/h4,6-7,9-12,14H,2-3,5,8,13,15-16,25H2,1H3;/q-2;+1.
What are the key properties of potassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine?
potassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine has a molecular weight of 440.61 g/mol, XLogP of 0.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-[2-[[4-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]cyclohexa-2,4-dien-1-ylidene]amino]ethenoxy]butan-1-amine is sourced from PubChem (CID 163250519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).