7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine

C21H23Cl3N6 — CID 139481770

IUPAC7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine
SMILESCC(C)Nc1cc(Cl)c2n[nH]c(CCC(C)Nc3cc(Cl)c4[nH]ncc4c3Cl)c2c1
InChIInChI=1S/C21H23Cl3N6/c1-10(2)26-12-6-13-17(28-30-20(13)15(22)7-12)5-4-11(3)27-18-8-16(23)21-14(19(18)24)9-25-29-21/h6-11,26-27H,4-5H2,1-3H3,(H,25,29)(H,28,30)
InChIKeyNMUQHBIEMAKOJB-UHFFFAOYSA-N
MW465.82 g/mol
LogP6.65
Rot. Bonds7

About 7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine

7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine (PubChem CID 139481770) has the molecular formula C21H23Cl3N6 and a molecular weight of 465.82 g/mol. Its IUPAC name is 7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine.

Molecular Properties

Compound Name7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine
PubChem CID139481770
Molecular FormulaC21H23Cl3N6
Molecular Weight465.82 g/mol
Exact Mass464.10
IUPAC Name7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine
SMILESCC(C)Nc1cc(Cl)c2n[nH]c(CCC(C)Nc3cc(Cl)c4[nH]ncc4c3Cl)c2c1
InChIInChI=1S/C21H23Cl3N6/c1-10(2)26-12-6-13-17(28-30-20(13)15(22)7-12)5-4-11(3)27-18-8-16(23)21-14(19(18)24)9-25-29-21/h6-11,26-27H,4-5H2,1-3H3,(H,25,29)(H,28,30)
InChIKeyNMUQHBIEMAKOJB-UHFFFAOYSA-N
XLogP6.65
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.82
LogP ≤ 56.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine?
The IUPAC name of 7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine (CID 139481770) is 7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine.
What is the SMILES notation for 7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine?
The canonical SMILES for 7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine is CC(C)Nc1cc(Cl)c2n[nH]c(CCC(C)Nc3cc(Cl)c4[nH]ncc4c3Cl)c2c1.
What is the InChIKey of 7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine?
The InChIKey is NMUQHBIEMAKOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl3N6/c1-10(2)26-12-6-13-17(28-30-20(13)15(22)7-12)5-4-11(3)27-18-8-16(23)21-14(19(18)24)9-25-29-21/h6-11,26-27H,4-5H2,1-3H3,(H,25,29)(H,28,30).
What are the key properties of 7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine?
7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine has a molecular weight of 465.82 g/mol, XLogP of 6.65, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[3-[(4,7-dichloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine is sourced from PubChem (CID 139481770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).