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

C27H27F2N5O2 — CID 142792184

IUPACN-[5-[(3,5-difluorophenyl)methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(COCc5cc(F)cc(F)c5)cc34)cc2)CC1
InChIInChI=1S/C27H27F2N5O2/c1-33-8-10-34(11-9-33)23-5-3-20(4-6-23)27(35)30-26-24-14-18(2-7-25(24)31-32-26)16-36-17-19-12-21(28)15-22(29)13-19/h2-7,12-15H,8-11,16-17H2,1H3,(H2,30,31,32,35)
InChIKeyCNUCXVOWJQKXLA-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.56
Rot. Bonds7

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

N-[5-[(3,5-difluorophenyl)methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 142792184) has the molecular formula C27H27F2N5O2 and a molecular weight of 491.54 g/mol. Its IUPAC name is N-[5-[(3,5-difluorophenyl)methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[5-[(3,5-difluorophenyl)methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID142792184
Molecular FormulaC27H27F2N5O2
Molecular Weight491.54 g/mol
Exact Mass491.21
IUPAC NameN-[5-[(3,5-difluorophenyl)methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(COCc5cc(F)cc(F)c5)cc34)cc2)CC1
InChIInChI=1S/C27H27F2N5O2/c1-33-8-10-34(11-9-33)23-5-3-20(4-6-23)27(35)30-26-24-14-18(2-7-25(24)31-32-26)16-36-17-19-12-21(28)15-22(29)13-19/h2-7,12-15H,8-11,16-17H2,1H3,(H2,30,31,32,35)
InChIKeyCNUCXVOWJQKXLA-UHFFFAOYSA-N
XLogP4.56
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(2-fluoroethylamino)-4-(4-methylpiperazin-1-yl)benzamide
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CID 25174394
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 25175712
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N-(5-(3-fluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzamide
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Alk-IN-28
CID 25176014
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-difluorophenyl)methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[5-[(3,5-difluorophenyl)methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 142792184) is N-[5-[(3,5-difluorophenyl)methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[5-[(3,5-difluorophenyl)methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[5-[(3,5-difluorophenyl)methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(COCc5cc(F)cc(F)c5)cc34)cc2)CC1.
What is the InChIKey of N-[5-[(3,5-difluorophenyl)methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is CNUCXVOWJQKXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O2/c1-33-8-10-34(11-9-33)23-5-3-20(4-6-23)27(35)30-26-24-14-18(2-7-25(24)31-32-26)16-36-17-19-12-21(28)15-22(29)13-19/h2-7,12-15H,8-11,16-17H2,1H3,(H2,30,31,32,35).
What are the key properties of N-[5-[(3,5-difluorophenyl)methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
N-[5-[(3,5-difluorophenyl)methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 491.54 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-difluorophenyl)methoxymethyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 142792184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).