5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine

C26H25F2N7 — CID 177383183

IUPAC5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine
SMILESCN1CCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)n[nH]c3c2)CC1
InChIInChI=1S/C26H25F2N7/c1-34-6-8-35(9-7-34)20-3-4-21-24(15-20)31-32-25(21)29-26-22-13-16(2-5-23(22)30-33-26)10-17-11-18(27)14-19(28)12-17/h2-5,11-15H,6-10H2,1H3,(H3,29,30,31,32,33)
InChIKeySULQMCGYQFTTSM-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.80
Rot. Bonds5

About 5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine

5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine (PubChem CID 177383183) has the molecular formula C26H25F2N7 and a molecular weight of 473.53 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine
PubChem CID177383183
Molecular FormulaC26H25F2N7
Molecular Weight473.53 g/mol
Exact Mass473.21
IUPAC Name5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine
SMILESCN1CCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)n[nH]c3c2)CC1
InChIInChI=1S/C26H25F2N7/c1-34-6-8-35(9-7-34)20-3-4-21-24(15-20)31-32-25(21)29-26-22-13-16(2-5-23(22)30-33-26)10-17-11-18(27)14-19(28)12-17/h2-5,11-15H,6-10H2,1H3,(H3,29,30,31,32,33)
InChIKeySULQMCGYQFTTSM-UHFFFAOYSA-N
XLogP4.80
TPSA75.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine?
The IUPAC name of 5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine (CID 177383183) is 5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine?
The canonical SMILES for 5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine is CN1CCN(c2ccc3c(Nc4n[nH]c5ccc(Cc6cc(F)cc(F)c6)cc45)n[nH]c3c2)CC1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine?
The InChIKey is SULQMCGYQFTTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N7/c1-34-6-8-35(9-7-34)20-3-4-21-24(15-20)31-32-25(21)29-26-22-13-16(2-5-23(22)30-33-26)10-17-11-18(27)14-19(28)12-17/h2-5,11-15H,6-10H2,1H3,(H3,29,30,31,32,33).
What are the key properties of 5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine?
5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine has a molecular weight of 473.53 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)methyl]-N-[6-(4-methylpiperazin-1-yl)-1H-indazol-3-yl]-1H-indazol-3-amine is sourced from PubChem (CID 177383183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).