1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

C24H19ClN8 — CID 164520962

IUPAC1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C(C)c2nn(-c3ccc4cccnc4c3)c3cc(Cl)ccc23)c2ncnc(N)c12
InChIInChI=1S/C24H19ClN8/c1-13-21-23(26)28-12-29-24(21)32(30-13)14(2)22-18-8-6-16(25)10-20(18)33(31-22)17-7-5-15-4-3-9-27-19(15)11-17/h3-12,14H,1-2H3,(H2,26,28,29)
InChIKeyLNSASDLTUSMBAT-UHFFFAOYSA-N
MW454.93 g/mol
LogP4.87
Rot. Bonds3

About 1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 164520962) has the molecular formula C24H19ClN8 and a molecular weight of 454.93 g/mol. Its IUPAC name is 1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID164520962
Molecular FormulaC24H19ClN8
Molecular Weight454.93 g/mol
Exact Mass454.14
IUPAC Name1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C(C)c2nn(-c3ccc4cccnc4c3)c3cc(Cl)ccc23)c2ncnc(N)c12
InChIInChI=1S/C24H19ClN8/c1-13-21-23(26)28-12-29-24(21)32(30-13)14(2)22-18-8-6-16(25)10-20(18)33(31-22)17-7-5-15-4-3-9-27-19(15)11-17/h3-12,14H,1-2H3,(H2,26,28,29)
InChIKeyLNSASDLTUSMBAT-UHFFFAOYSA-N
XLogP4.87
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 164520962) is 1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C(C)c2nn(-c3ccc4cccnc4c3)c3cc(Cl)ccc23)c2ncnc(N)c12.
What is the InChIKey of 1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LNSASDLTUSMBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN8/c1-13-21-23(26)28-12-29-24(21)32(30-13)14(2)22-18-8-6-16(25)10-20(18)33(31-22)17-7-5-15-4-3-9-27-19(15)11-17/h3-12,14H,1-2H3,(H2,26,28,29).
What are the key properties of 1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 454.93 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-1-quinolin-7-ylindazol-3-yl)ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 164520962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).