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

C21H24Cl2N6 — CID 139481767

IUPAC4-chloro-3-[3-[(4-chloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine
SMILESCC(C)Nc1ccc2n[nH]c(CCC(C)Nc3ccc4[nH]ncc4c3Cl)c2c1Cl
InChIInChI=1S/C21H24Cl2N6/c1-11(2)25-18-9-7-16-19(21(18)23)15(28-29-16)5-4-12(3)26-17-8-6-14-13(20(17)22)10-24-27-14/h6-12,25-26H,4-5H2,1-3H3,(H,24,27)(H,28,29)
InChIKeyFFKSJQLQHIXNNQ-UHFFFAOYSA-N
MW431.37 g/mol
LogP6.00
Rot. Bonds7

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

4-chloro-3-[3-[(4-chloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine (PubChem CID 139481767) has the molecular formula C21H24Cl2N6 and a molecular weight of 431.37 g/mol. Its IUPAC name is 4-chloro-3-[3-[(4-chloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine.

Molecular Properties

Compound Name4-chloro-3-[3-[(4-chloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine
PubChem CID139481767
Molecular FormulaC21H24Cl2N6
Molecular Weight431.37 g/mol
Exact Mass430.14
IUPAC Name4-chloro-3-[3-[(4-chloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine
SMILESCC(C)Nc1ccc2n[nH]c(CCC(C)Nc3ccc4[nH]ncc4c3Cl)c2c1Cl
InChIInChI=1S/C21H24Cl2N6/c1-11(2)25-18-9-7-16-19(21(18)23)15(28-29-16)5-4-12(3)26-17-8-6-14-13(20(17)22)10-24-27-14/h6-12,25-26H,4-5H2,1-3H3,(H,24,27)(H,28,29)
InChIKeyFFKSJQLQHIXNNQ-UHFFFAOYSA-N
XLogP6.00
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.37
LogP ≤ 56.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[3-[(4-chloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine?
The IUPAC name of 4-chloro-3-[3-[(4-chloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine (CID 139481767) is 4-chloro-3-[3-[(4-chloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine.
What is the SMILES notation for 4-chloro-3-[3-[(4-chloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine?
The canonical SMILES for 4-chloro-3-[3-[(4-chloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine is CC(C)Nc1ccc2n[nH]c(CCC(C)Nc3ccc4[nH]ncc4c3Cl)c2c1Cl.
What is the InChIKey of 4-chloro-3-[3-[(4-chloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine?
The InChIKey is FFKSJQLQHIXNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N6/c1-11(2)25-18-9-7-16-19(21(18)23)15(28-29-16)5-4-12(3)26-17-8-6-14-13(20(17)22)10-24-27-14/h6-12,25-26H,4-5H2,1-3H3,(H,24,27)(H,28,29).
What are the key properties of 4-chloro-3-[3-[(4-chloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine?
4-chloro-3-[3-[(4-chloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine has a molecular weight of 431.37 g/mol, XLogP of 6.00, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[3-[(4-chloro-1H-indazol-5-yl)amino]butyl]-N-propan-2-yl-2H-indazol-5-amine is sourced from PubChem (CID 139481767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).