4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine

C21H24FN5 — CID 144999777

IUPAC4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine
SMILESCC1(C)CCc2c(-c3cc(F)nc(NCCc4ccncc4)c3)n[nH]c2C1
InChIInChI=1S/C21H24FN5/c1-21(2)7-3-16-17(13-21)26-27-20(16)15-11-18(22)25-19(12-15)24-10-6-14-4-8-23-9-5-14/h4-5,8-9,11-12H,3,6-7,10,13H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyQXERSDVPKINGDY-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.18
Rot. Bonds5

About 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine

4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine (PubChem CID 144999777) 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-(2-pyridin-4-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine
PubChem CID144999777
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-(2-pyridin-4-ylethyl)pyridin-2-amine
SMILESCC1(C)CCc2c(-c3cc(F)nc(NCCc4ccncc4)c3)n[nH]c2C1
InChIInChI=1S/C21H24FN5/c1-21(2)7-3-16-17(13-21)26-27-20(16)15-11-18(22)25-19(12-15)24-10-6-14-4-8-23-9-5-14/h4-5,8-9,11-12H,3,6-7,10,13H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyQXERSDVPKINGDY-UHFFFAOYSA-N
XLogP4.18
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.18
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-(2-pyridin-4-ylethyl)pyridin-2-amine with MolForge

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Related Compounds

4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(4-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 145000125
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine
CID 145000230
N-(cyclohexylmethyl)-4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoropyridin-2-amine
CID 145000650
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-[[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
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
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 145000539
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
6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-2-methylsulfanyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 145000594
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
3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-N-methylaniline
CID 144999929

Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
The IUPAC name of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine (CID 144999777) is 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine.
What is the SMILES notation for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
The canonical SMILES for 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine is CC1(C)CCc2c(-c3cc(F)nc(NCCc4ccncc4)c3)n[nH]c2C1.
What is the InChIKey of 4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine?
The InChIKey is QXERSDVPKINGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5/c1-21(2)7-3-16-17(13-21)26-27-20(16)15-11-18(22)25-19(12-15)24-10-6-14-4-8-23-9-5-14/h4-5,8-9,11-12H,3,6-7,10,13H2,1-2H3,(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-(2-pyridin-4-ylethyl)pyridin-2-amine?
4-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-6-fluoro-N-(2-pyridin-4-ylethyl)pyridin-2-amine has a molecular weight of 365.46 g/mol, XLogP of 4.18, 5 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-(2-pyridin-4-ylethyl)pyridin-2-amine is sourced from PubChem (CID 144999777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).