5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine

C22H26FN5 — CID 166633307

IUPAC5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
SMILESCc1nccc(-c2cc3[nH]nc(NC4CCN(C)CC4)c3cc2C2CC2)c1F
InChIInChI=1S/C22H26FN5/c1-13-21(23)16(5-8-24-13)18-12-20-19(11-17(18)14-3-4-14)22(27-26-20)25-15-6-9-28(2)10-7-15/h5,8,11-12,14-15H,3-4,6-7,9-10H2,1-2H3,(H2,25,26,27)
InChIKeyMKOKJJLUNMJTBK-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.46
Rot. Bonds4

About 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine

5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine (PubChem CID 166633307) has the molecular formula C22H26FN5 and a molecular weight of 379.48 g/mol. Its IUPAC name is 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
PubChem CID166633307
Molecular FormulaC22H26FN5
Molecular Weight379.48 g/mol
Exact Mass379.22
IUPAC Name5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
SMILESCc1nccc(-c2cc3[nH]nc(NC4CCN(C)CC4)c3cc2C2CC2)c1F
InChIInChI=1S/C22H26FN5/c1-13-21(23)16(5-8-24-13)18-12-20-19(11-17(18)14-3-4-14)22(27-26-20)25-15-6-9-28(2)10-7-15/h5,8,11-12,14-15H,3-4,6-7,9-10H2,1-2H3,(H2,25,26,27)
InChIKeyMKOKJJLUNMJTBK-UHFFFAOYSA-N
XLogP4.46
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine?
The IUPAC name of 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine (CID 166633307) is 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine?
The canonical SMILES for 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine is Cc1nccc(-c2cc3[nH]nc(NC4CCN(C)CC4)c3cc2C2CC2)c1F.
What is the InChIKey of 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine?
The InChIKey is MKOKJJLUNMJTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5/c1-13-21(23)16(5-8-24-13)18-12-20-19(11-17(18)14-3-4-14)22(27-26-20)25-15-6-9-28(2)10-7-15/h5,8,11-12,14-15H,3-4,6-7,9-10H2,1-2H3,(H2,25,26,27).
What are the key properties of 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine?
5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine has a molecular weight of 379.48 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-(3-fluoro-2-methyl-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 166633307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).