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

C22H26ClN7O — CID 176566161

IUPAC4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)-1H-indazol-3-amine
SMILESCOc1cc2nn(C)cc2cc1Nc1n[nH]c2cc(N3C[C@H](C)N[C@@H](C)C3)cc(Cl)c12
InChIInChI=1S/C22H26ClN7O/c1-12-9-30(10-13(2)24-12)15-6-16(23)21-19(7-15)26-27-22(21)25-18-5-14-11-29(3)28-17(14)8-20(18)31-4/h5-8,11-13,24H,9-10H2,1-4H3,(H2,25,26,27)/t12-,13-/m0/s1
InChIKeyRMHIGKFKFBOVQB-STQMWFEESA-N
MW439.95 g/mol
LogP4.04
Rot. Bonds4

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

4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)-1H-indazol-3-amine (PubChem CID 176566161) has the molecular formula C22H26ClN7O and a molecular weight of 439.95 g/mol. Its IUPAC name is 4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)-1H-indazol-3-amine
PubChem CID176566161
Molecular FormulaC22H26ClN7O
Molecular Weight439.95 g/mol
Exact Mass439.19
IUPAC Name4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)-1H-indazol-3-amine
SMILESCOc1cc2nn(C)cc2cc1Nc1n[nH]c2cc(N3C[C@H](C)N[C@@H](C)C3)cc(Cl)c12
InChIInChI=1S/C22H26ClN7O/c1-12-9-30(10-13(2)24-12)15-6-16(23)21-19(7-15)26-27-22(21)25-18-5-14-11-29(3)28-17(14)8-20(18)31-4/h5-8,11-13,24H,9-10H2,1-4H3,(H2,25,26,27)/t12-,13-/m0/s1
InChIKeyRMHIGKFKFBOVQB-STQMWFEESA-N
XLogP4.04
TPSA83.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.95
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)-1H-indazol-3-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
5-[[4-chloro-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-yl]amino]-2-methylindazole-7-carbonitrile
CID 176566250
4-chloro-N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1H-indazol-3-amine
CID 176566176
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-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
4-chloro-N-(7-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperazin-1-yl-1H-indazol-3-amine
CID 176566489
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-[6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-(methoxymethyl)-1H-indazol-3-yl]-2,8-dimethylimidazo[1,2-b]pyridazin-6-amine
CID 176566290
4-chloro-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)-1,2-benzoxazol-3-amine
CID 176565980
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-cyclopropyl-6-(3-methylpiperazin-1-yl)-1H-indazol-3-yl]-7-fluoro-2-methylindazol-5-amine
CID 176567167

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)-1H-indazol-3-amine?
The IUPAC name of 4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)-1H-indazol-3-amine (CID 176566161) is 4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)-1H-indazol-3-amine.
What is the SMILES notation for 4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)-1H-indazol-3-amine?
The canonical SMILES for 4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)-1H-indazol-3-amine is COc1cc2nn(C)cc2cc1Nc1n[nH]c2cc(N3C[C@H](C)N[C@@H](C)C3)cc(Cl)c12.
What is the InChIKey of 4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)-1H-indazol-3-amine?
The InChIKey is RMHIGKFKFBOVQB-STQMWFEESA-N. The full InChI is InChI=1S/C22H26ClN7O/c1-12-9-30(10-13(2)24-12)15-6-16(23)21-19(7-15)26-27-22(21)25-18-5-14-11-29(3)28-17(14)8-20(18)31-4/h5-8,11-13,24H,9-10H2,1-4H3,(H2,25,26,27)/t12-,13-/m0/s1.
What are the key properties of 4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)-1H-indazol-3-amine?
4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)-1H-indazol-3-amine has a molecular weight of 439.95 g/mol, XLogP of 4.04, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(6-methoxy-2-methylindazol-5-yl)-1H-indazol-3-amine is sourced from PubChem (CID 176566161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).