N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide

C23H27FN6O2 — CID 159226104

IUPACN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)N(Cc2ccc(C(=O)CN)cc2F)c2cccc3cnn(C)c23)CC1
InChIInChI=1S/C23H27FN6O2/c1-27-8-10-29(11-9-27)23(32)30(20-5-3-4-17-14-26-28(2)22(17)20)15-18-7-6-16(12-19(18)24)21(31)13-25/h3-7,12,14H,8-11,13,15,25H2,1-2H3
InChIKeyLPMYHHGYMPHZOY-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.23
Rot. Bonds5

About N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide

N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide (PubChem CID 159226104) has the molecular formula C23H27FN6O2 and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide
PubChem CID159226104
Molecular FormulaC23H27FN6O2
Molecular Weight438.51 g/mol
Exact Mass438.22
IUPAC NameN-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)N(Cc2ccc(C(=O)CN)cc2F)c2cccc3cnn(C)c23)CC1
InChIInChI=1S/C23H27FN6O2/c1-27-8-10-29(11-9-27)23(32)30(20-5-3-4-17-14-26-28(2)22(17)20)15-18-7-6-16(12-19(18)24)21(31)13-25/h3-7,12,14H,8-11,13,15,25H2,1-2H3
InChIKeyLPMYHHGYMPHZOY-UHFFFAOYSA-N
XLogP2.23
TPSA87.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide with MolForge

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Related Compounds

N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide
CID 159840087
methyl 3-fluoro-4-[[(1-methylindazol-7-yl)amino]methyl]benzoate;methyl 3-fluoro-4-[[(1-methylindazol-7-yl)-(piperidine-1-carbonyl)amino]methyl]benzoate;piperidine
CID 161197771
[1-[[4-[[(1,1-dioxo-1,4-thiazinane-4-carbonyl)-(1-methylindazol-7-yl)amino]methyl]-3-fluorophenyl]methoxy]-2,2,2-trifluoroethylidene]azanide;nickel(2+)
CID 167497019
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide;N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)piperidine-1-carboxamide
CID 158373017
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]piperidine-1-carboxamide;methyl 3-fluoro-4-[[4-[(4-methylpiperazin-1-yl)methyl]-N-(piperidine-1-carbonyl)anilino]methyl]benzoate
CID 159840471
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide
CID 161397463
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(3-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 157138478
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-methyl-N-phenyl-1,4-diazepane-1-carboxamide
CID 158447662
4-[(3-chloro-4-fluoro-N-(4-methylpiperazine-1-carbonyl)anilino)methyl]-3-fluorobenzoic acid
CID 152880946
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(3-chloro-4-fluorophenyl)morpholine-4-carboxamide
CID 158190880
methyl 3-fluoro-4-[(N-(4-methylpiperazine-1-carbonyl)-4-phenylanilino)methyl]benzoate
CID 140894666
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-(oxetan-3-yl)-N-phenylpiperazine-1-carboxamide;methyl 3-fluoro-4-[(N-[4-(oxetan-3-yl)piperazine-1-carbonyl]anilino)methyl]benzoate
CID 162265897

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide?
The IUPAC name of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide (CID 159226104) is N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide is CN1CCN(C(=O)N(Cc2ccc(C(=O)CN)cc2F)c2cccc3cnn(C)c23)CC1.
What is the InChIKey of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide?
The InChIKey is LPMYHHGYMPHZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O2/c1-27-8-10-29(11-9-27)23(32)30(20-5-3-4-17-14-26-28(2)22(17)20)15-18-7-6-16(12-19(18)24)21(31)13-25/h3-7,12,14H,8-11,13,15,25H2,1-2H3.
What are the key properties of N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide?
N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide has a molecular weight of 438.51 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-aminoacetyl)-2-fluorophenyl]methyl]-4-methyl-N-(1-methylindazol-7-yl)piperazine-1-carboxamide is sourced from PubChem (CID 159226104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).