N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine

C21H23F2N7 — CID 176566226

IUPACN-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
SMILESC[C@@H]1CN(c2cc(F)c3c(Nc4cc(F)c5nn(C)cc5c4)n[nH]c3c2)C[C@H](C)N1
InChIInChI=1S/C21H23F2N7/c1-11-8-30(9-12(2)24-11)15-6-16(22)19-18(7-15)26-27-21(19)25-14-4-13-10-29(3)28-20(13)17(23)5-14/h4-7,10-12,24H,8-9H2,1-3H3,(H2,25,26,27)/t11-,12+
InChIKeyDSLPIIYYDQDXMI-TXEJJXNPSA-N
MW411.46 g/mol
LogP3.66
Rot. Bonds3

About N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine

N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine (PubChem CID 176566226) has the molecular formula C21H23F2N7 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine.

Molecular Properties

Compound NameN-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
PubChem CID176566226
Molecular FormulaC21H23F2N7
Molecular Weight411.46 g/mol
Exact Mass411.20
IUPAC NameN-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
SMILESC[C@@H]1CN(c2cc(F)c3c(Nc4cc(F)c5nn(C)cc5c4)n[nH]c3c2)C[C@H](C)N1
InChIInChI=1S/C21H23F2N7/c1-11-8-30(9-12(2)24-11)15-6-16(22)19-18(7-15)26-27-21(19)25-14-4-13-10-29(3)28-20(13)17(23)5-14/h4-7,10-12,24H,8-9H2,1-3H3,(H2,25,26,27)/t11-,12+
InChIKeyDSLPIIYYDQDXMI-TXEJJXNPSA-N
XLogP3.66
TPSA73.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176567106
N-[4-(difluoromethyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176566734
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
N-[4-cyclopropyl-6-(3-methylpiperazin-1-yl)-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176567167
N-[4-(difluoromethyl)-6-(3-methylpiperazin-1-yl)-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176566634
5-[[4-chloro-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]amino]-2-methylindazole-7-carbonitrile
CID 176566250
4-chloro-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-1,2-benzoxazol-3-amine
CID 176565980
8-cyclopropyl-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)isoquinolin-1-amine
CID 176567493
5-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)quinazolin-4-amine
CID 176567187
4-chloro-1-(cyclopropylmethyl)-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)indazol-3-amine
CID 176565979
N-[4-chloro-6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]-8-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 176566800
6-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline
CID 170007092

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine?
The IUPAC name of N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine (CID 176566226) is N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine.
What is the SMILES notation for N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine?
The canonical SMILES for N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine is C[C@@H]1CN(c2cc(F)c3c(Nc4cc(F)c5nn(C)cc5c4)n[nH]c3c2)C[C@H](C)N1.
What is the InChIKey of N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine?
The InChIKey is DSLPIIYYDQDXMI-TXEJJXNPSA-N. The full InChI is InChI=1S/C21H23F2N7/c1-11-8-30(9-12(2)24-11)15-6-16(22)19-18(7-15)26-27-21(19)25-14-4-13-10-29(3)28-20(13)17(23)5-14/h4-7,10-12,24H,8-9H2,1-3H3,(H2,25,26,27)/t11-,12+.
What are the key properties of N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine?
N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine has a molecular weight of 411.46 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-4-fluoro-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine is sourced from PubChem (CID 176566226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).