4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine

C21H24FN5 — CID 145000125

IUPAC4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
SMILESCc1ccncc1CNc1cc(-c2n[nH]c3c2CCC(C)(C)C3)cc(F)n1
InChIInChI=1S/C21H24FN5/c1-13-5-7-23-11-15(13)12-24-19-9-14(8-18(22)25-19)20-16-4-6-21(2,3)10-17(16)26-27-20/h5,7-9,11H,4,6,10,12H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyPZYFYIBJXUVEJG-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.44
Rot. Bonds4

About 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine

4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine (PubChem CID 145000125) has the molecular formula C21H24FN5 and a molecular weight of 365.46 g/mol. Its IUPAC name is 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
PubChem CID145000125
Molecular FormulaC21H24FN5
Molecular Weight365.46 g/mol
Exact Mass365.20
IUPAC Name4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
SMILESCc1ccncc1CNc1cc(-c2n[nH]c3c2CCC(C)(C)C3)cc(F)n1
InChIInChI=1S/C21H24FN5/c1-13-5-7-23-11-15(13)12-24-19-9-14(8-18(22)25-19)20-16-4-6-21(2,3)10-17(16)26-27-20/h5,7-9,11H,4,6,10,12H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyPZYFYIBJXUVEJG-UHFFFAOYSA-N
XLogP4.44
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[2-(dimethylamino)phenyl]methyl]-4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoropyridin-2-amine
CID 145000513
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-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine
CID 145000230
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine
CID 144999873
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridin-2-amine
CID 145000317
N-(cyclohexylmethyl)-4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoropyridin-2-amine
CID 145000650
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[[1-(3-fluoro-2-pyridinyl)cyclopropyl]methyl]pyridin-2-amine
CID 145000474
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 145000022
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-(2-methoxy-3-pyridinyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 144999941
1-[4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-[(2-methylpyrimidin-5-yl)methylamino]-2-pyridinyl]ethanone
CID 144999731
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

Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine (CID 145000125) is 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine is Cc1ccncc1CNc1cc(-c2n[nH]c3c2CCC(C)(C)C3)cc(F)n1.
What is the InChIKey of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is PZYFYIBJXUVEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c1-13-5-7-23-11-15(13)12-24-19-9-14(8-18(22)25-19)20-16-4-6-21(2,3)10-17(16)26-27-20/h5,7-9,11H,4,6,10,12H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine?
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 365.46 g/mol, XLogP of 4.44, 4 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-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 145000125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).