4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde

C16H20N4O — CID 145000491

IUPAC4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde
SMILESCNc1cc(-c2n[nH]c3c2CCC(C)(C)C3)cc(C=O)n1
InChIInChI=1S/C16H20N4O/c1-16(2)5-4-12-13(8-16)19-20-15(12)10-6-11(9-21)18-14(7-10)17-3/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyONJOQYIBKHSALI-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.84
Rot. Bonds3

About 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde

4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde (PubChem CID 145000491) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde
PubChem CID145000491
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde
SMILESCNc1cc(-c2n[nH]c3c2CCC(C)(C)C3)cc(C=O)n1
InChIInChI=1S/C16H20N4O/c1-16(2)5-4-12-13(8-16)19-20-15(12)10-6-11(9-21)18-14(7-10)17-3/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyONJOQYIBKHSALI-UHFFFAOYSA-N
XLogP2.84
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline
CID 144999929
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine
CID 144999873
N-(cyclohexylmethyl)-4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoropyridin-2-amine
CID 145000650
cis-(1R,3S)-3-[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]cyclopentane-1-carboxylic acid
CID 144999671
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 144999777
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 145000022
1-[[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-2-pyridinyl]amino]-4-methoxy-2-methylbutan-2-ol
CID 145000084
N-[[2-(dimethylamino)phenyl]methyl]-4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoropyridin-2-amine
CID 145000513
1-[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(2-methylpyrimidin-5-yl)methylamino]-2-pyridinyl]ethanone
CID 144999731
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 145000539
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]pyridin-2-amine
CID 144999653
4-(5,5-dimethyl-4,6-dihydro-1H-cyclopenta[d]pyrazol-3-yl)-6-fluoro-N-methylpyridin-2-amine;N-methylcyclohexanecarboxamide
CID 144999664

Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde?
The IUPAC name of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde (CID 145000491) is 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde.
What is the SMILES notation for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde?
The canonical SMILES for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde is CNc1cc(-c2n[nH]c3c2CCC(C)(C)C3)cc(C=O)n1.
What is the InChIKey of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde?
The InChIKey is ONJOQYIBKHSALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-16(2)5-4-12-13(8-16)19-20-15(12)10-6-11(9-21)18-14(7-10)17-3/h6-7,9H,4-5,8H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde?
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde has a molecular weight of 284.36 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-(methylamino)pyridine-2-carbaldehyde is sourced from PubChem (CID 145000491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).