N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine

C15H22FN5 — CID 176566654

IUPACN-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine
SMILESC[C@@H]1CNC[C@@H](CNc2cc(F)c3nn(C)cc3c2)N1C
InChIInChI=1S/C15H22FN5/c1-10-6-17-7-13(21(10)3)8-18-12-4-11-9-20(2)19-15(11)14(16)5-12/h4-5,9-10,13,17-18H,6-8H2,1-3H3/t10-,13+/m1/s1
InChIKeyMMTZNPSJALJTGE-MFKMUULPSA-N
MW291.37 g/mol
LogP1.42
Rot. Bonds3

About N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine

N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine (PubChem CID 176566654) has the molecular formula C15H22FN5 and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine.

Molecular Properties

Compound NameN-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine
PubChem CID176566654
Molecular FormulaC15H22FN5
Molecular Weight291.37 g/mol
Exact Mass291.19
IUPAC NameN-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine
SMILESC[C@@H]1CNC[C@@H](CNc2cc(F)c3nn(C)cc3c2)N1C
InChIInChI=1S/C15H22FN5/c1-10-6-17-7-13(21(10)3)8-18-12-4-11-9-20(2)19-15(11)14(16)5-12/h4-5,9-10,13,17-18H,6-8H2,1-3H3/t10-,13+/m1/s1
InChIKeyMMTZNPSJALJTGE-MFKMUULPSA-N
XLogP1.42
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate
CID 176566663
N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176566226
N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176566734
8-cyclopropyl-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)isoquinolin-1-amine
CID 176567493
6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-4-methoxy-1H-pyrazolo[4,3-c]pyridin-3-amine
CID 176566909
(7-fluoro-2-methylindazol-5-yl)-methyl-propylborane
CID 168978878
5-[3-[(cyclopropylamino)methyl]azetidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)pyrazine-2-carboxamide
CID 166848046
tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate
CID 172551800
N-[4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176567106
4-chloro-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-1,2-benzoxazol-3-amine
CID 176565980
N-[4-(difluoromethyl)-6-(3-methylpiperazin-1-yl)-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176566634
4-chloro-1-(cyclopropylmethyl)-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)indazol-3-amine
CID 176565979

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine?
The IUPAC name of N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine (CID 176566654) is N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine.
What is the SMILES notation for N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine?
The canonical SMILES for N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine is C[C@@H]1CNC[C@@H](CNc2cc(F)c3nn(C)cc3c2)N1C.
What is the InChIKey of N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine?
The InChIKey is MMTZNPSJALJTGE-MFKMUULPSA-N. The full InChI is InChI=1S/C15H22FN5/c1-10-6-17-7-13(21(10)3)8-18-12-4-11-9-20(2)19-15(11)14(16)5-12/h4-5,9-10,13,17-18H,6-8H2,1-3H3/t10-,13+/m1/s1.
What are the key properties of N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine?
N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine has a molecular weight of 291.37 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine is sourced from PubChem (CID 176566654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).