3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole

C23H28FN5 — CID 165137190

IUPAC3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole
SMILESCC1CN(c2cc(-c3n[nH]c4cc(F)c(CC5(C)CC5)cc34)ccn2)CC(C)N1
InChIInChI=1S/C23H28FN5/c1-14-12-29(13-15(2)26-14)21-9-16(4-7-25-21)22-18-8-17(11-23(3)5-6-23)19(24)10-20(18)27-28-22/h4,7-10,14-15,26H,5-6,11-13H2,1-3H3,(H,27,28)
InChIKeyZBHFULACAKHADS-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.29
Rot. Bonds4

About 3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole

3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole (PubChem CID 165137190) has the molecular formula C23H28FN5 and a molecular weight of 393.51 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole.

Molecular Properties

Compound Name3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole
PubChem CID165137190
Molecular FormulaC23H28FN5
Molecular Weight393.51 g/mol
Exact Mass393.23
IUPAC Name3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole
SMILESCC1CN(c2cc(-c3n[nH]c4cc(F)c(CC5(C)CC5)cc34)ccn2)CC(C)N1
InChIInChI=1S/C23H28FN5/c1-14-12-29(13-15(2)26-14)21-9-16(4-7-25-21)22-18-8-17(11-23(3)5-6-23)19(24)10-20(18)27-28-22/h4,7-10,14-15,26H,5-6,11-13H2,1-3H3,(H,27,28)
InChIKeyZBHFULACAKHADS-UHFFFAOYSA-N
XLogP4.29
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole?
The IUPAC name of 3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole (CID 165137190) is 3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole.
What is the SMILES notation for 3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole?
The canonical SMILES for 3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole is CC1CN(c2cc(-c3n[nH]c4cc(F)c(CC5(C)CC5)cc34)ccn2)CC(C)N1.
What is the InChIKey of 3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole?
The InChIKey is ZBHFULACAKHADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5/c1-14-12-29(13-15(2)26-14)21-9-16(4-7-25-21)22-18-8-17(11-23(3)5-6-23)19(24)10-20(18)27-28-22/h4,7-10,14-15,26H,5-6,11-13H2,1-3H3,(H,27,28).
What are the key properties of 3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole?
3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole has a molecular weight of 393.51 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylpiperazin-1-yl)-4-pyridinyl]-6-fluoro-5-[(1-methylcyclopropyl)methyl]-1H-indazole is sourced from PubChem (CID 165137190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).