1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

C24H21ClN8 — CID 164520945

IUPAC1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C(C)c2nn(-c3ccc4ccn(C)c4c3)c3cc(Cl)ccc23)c2ncnc(N)c12
InChIInChI=1S/C24H21ClN8/c1-13-21-23(26)27-12-28-24(21)32(29-13)14(2)22-18-7-5-16(25)10-20(18)33(30-22)17-6-4-15-8-9-31(3)19(15)11-17/h4-12,14H,1-3H3,(H2,26,27,28)
InChIKeyLVMWTEIAGGDNIG-UHFFFAOYSA-N
MW456.94 g/mol
LogP4.81
Rot. Bonds3

About 1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine

1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 164520945) has the molecular formula C24H21ClN8 and a molecular weight of 456.94 g/mol. Its IUPAC name is 1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID164520945
Molecular FormulaC24H21ClN8
Molecular Weight456.94 g/mol
Exact Mass456.16
IUPAC Name1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C(C)c2nn(-c3ccc4ccn(C)c4c3)c3cc(Cl)ccc23)c2ncnc(N)c12
InChIInChI=1S/C24H21ClN8/c1-13-21-23(26)27-12-28-24(21)32(29-13)14(2)22-18-7-5-16(25)10-20(18)33(30-22)17-6-4-15-8-9-31(3)19(15)11-17/h4-12,14H,1-3H3,(H2,26,27,28)
InChIKeyLVMWTEIAGGDNIG-UHFFFAOYSA-N
XLogP4.81
TPSA92.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.94
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[3-[3-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-chloroindazol-1-yl]phenyl]methanesulfonamide
CID 175736838
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 164520972
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 164520975
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 177382843
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 164520959
6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(4-methylsulfonylphenyl)indazole
CID 175789691
5-chloro-2-(1-methylindol-6-yl)isoindol-1-ol
CID 91519522
1-[1-[5-chloro-4-fluoro-2-methoxy-3-(1-methylazetidin-3-yl)phenyl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 89425144
6-chloro-3-[1-(3-methylpyrazol-1-yl)ethyl]-1-(3-methylsulfonylphenyl)indazole
CID 175789695
1-[1-[5-chloro-2-ethoxy-4-methyl-3-(1H-pyrazol-4-yl)phenyl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 172687091
(1R)-1-[3-[5-[(1R)-1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-2,3-dichloro-6-methoxyphenyl]azetidin-1-yl]ethanol
CID 134823438
2-[3-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-5-chloro-2-methoxy-6-methylphenyl]-N,N-dimethylpropanamide
CID 172690470

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 164520945) is 1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C(C)c2nn(-c3ccc4ccn(C)c4c3)c3cc(Cl)ccc23)c2ncnc(N)c12.
What is the InChIKey of 1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is LVMWTEIAGGDNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN8/c1-13-21-23(26)27-12-28-24(21)32(29-13)14(2)22-18-7-5-16(25)10-20(18)33(30-22)17-6-4-15-8-9-31(3)19(15)11-17/h4-12,14H,1-3H3,(H2,26,27,28).
What are the key properties of 1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine?
1-[1-[6-chloro-1-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 456.94 g/mol, XLogP of 4.81, 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-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 164520945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).