6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine

C16H17FN4 — CID 176904216

IUPAC6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine
SMILESCC(C)c1ccc(NCc2ccc3cn[nH]c3c2)nc1F
InChIInChI=1S/C16H17FN4/c1-10(2)13-5-6-15(20-16(13)17)18-8-11-3-4-12-9-19-21-14(12)7-11/h3-7,9-10H,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJZBVVRRQTKATMX-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.83
Rot. Bonds4

About 6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine

6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine (PubChem CID 176904216) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine
PubChem CID176904216
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine
SMILESCC(C)c1ccc(NCc2ccc3cn[nH]c3c2)nc1F
InChIInChI=1S/C16H17FN4/c1-10(2)13-5-6-15(20-16(13)17)18-8-11-3-4-12-9-19-21-14(12)7-11/h3-7,9-10H,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyJZBVVRRQTKATMX-UHFFFAOYSA-N
XLogP3.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indazol-6-ylmethyl)-3-methylbutan-2-amine
CID 115606919
N-[(4-propan-2-ylphenyl)methyl]-1H-indazol-6-amine
CID 43229901
(2R)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884297
(2S)-1-(1H-indazol-6-ylmethylamino)propan-2-ol
CID 103884153
N-(1H-indazol-6-ylmethyl)pentan-3-amine;hydrochloride
CID 115606796
N-(1H-indazol-6-ylmethyl)but-3-en-2-amine
CID 115691269
(3R)-3-(1H-indazol-6-ylmethylamino)butan-1-ol
CID 103854776
1-(1H-indazol-6-ylmethylamino)-2-methylpropan-2-ol
CID 115621594
2-N-(1H-indazol-6-ylmethyl)-4-N-(1H-indol-5-ylmethyl)pyrimidine-2,4-diamine
CID 123451488
N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
CID 43790642
N-(1H-indazol-6-ylmethyl)-2,2-dimethylpropanamide
CID 110470760
2-(1H-indazol-6-ylmethylamino)propanamide;hydrochloride
CID 115606981

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine?
The IUPAC name of 6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine (CID 176904216) is 6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine is CC(C)c1ccc(NCc2ccc3cn[nH]c3c2)nc1F.
What is the InChIKey of 6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine?
The InChIKey is JZBVVRRQTKATMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-10(2)13-5-6-15(20-16(13)17)18-8-11-3-4-12-9-19-21-14(12)7-11/h3-7,9-10H,8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine?
6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine has a molecular weight of 284.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1H-indazol-6-ylmethyl)-5-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 176904216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).