N-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

C26H25F2N5O2 — CID 25175055

IUPACN-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(C(O)c5cc(F)cc(F)c5)cc34)cc2)CC1
InChIInChI=1S/C26H25F2N5O2/c1-32-8-10-33(11-9-32)21-5-2-16(3-6-21)26(35)29-25-22-14-17(4-7-23(22)30-31-25)24(34)18-12-19(27)15-20(28)13-18/h2-7,12-15,24,34H,8-11H2,1H3,(H2,29,30,31,35)
InChIKeyNBRWNRHNZFLGEE-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.93
Rot. Bonds5

About N-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

N-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 25175055) has the molecular formula C26H25F2N5O2 and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID25175055
Molecular FormulaC26H25F2N5O2
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC NameN-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(C(O)c5cc(F)cc(F)c5)cc34)cc2)CC1
InChIInChI=1S/C26H25F2N5O2/c1-32-8-10-33(11-9-32)21-5-2-16(3-6-21)26(35)29-25-22-14-17(4-7-23(22)30-31-25)24(34)18-12-19(27)15-20(28)13-18/h2-7,12-15,24,34H,8-11H2,1H3,(H2,29,30,31,35)
InChIKeyNBRWNRHNZFLGEE-UHFFFAOYSA-N
XLogP3.93
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 25175055) is N-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(C(O)c5cc(F)cc(F)c5)cc34)cc2)CC1.
What is the InChIKey of N-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is NBRWNRHNZFLGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O2/c1-32-8-10-33(11-9-32)21-5-2-16(3-6-21)26(35)29-25-22-14-17(4-7-23(22)30-31-25)24(34)18-12-19(27)15-20(28)13-18/h2-7,12-15,24,34H,8-11H2,1H3,(H2,29,30,31,35).
What are the key properties of N-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 477.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-difluorophenyl)-hydroxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 25175055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).