1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C23H17ClN8O — CID 164520975

IUPAC1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccoc2)c2c(N)ncnc21
InChIInChI=1S/C23H17ClN8O/c1-13(31-23-19(22(25)27-12-28-23)21(30-31)14-6-8-33-11-14)20-17-5-4-15(24)9-18(17)32(29-20)16-3-2-7-26-10-16/h2-13H,1H3,(H2,25,27,28)
InChIKeyOENKMKXHMDTMBS-UHFFFAOYSA-N
MW456.90 g/mol
LogP4.67
Rot. Bonds4

About 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine

1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 164520975) has the molecular formula C23H17ClN8O and a molecular weight of 456.90 g/mol. Its IUPAC name is 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID164520975
Molecular FormulaC23H17ClN8O
Molecular Weight456.90 g/mol
Exact Mass456.12
IUPAC Name1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccoc2)c2c(N)ncnc21
InChIInChI=1S/C23H17ClN8O/c1-13(31-23-19(22(25)27-12-28-23)21(30-31)14-6-8-33-11-14)20-17-5-4-15(24)9-18(17)32(29-20)16-3-2-7-26-10-16/h2-13H,1H3,(H2,25,27,28)
InChIKeyOENKMKXHMDTMBS-UHFFFAOYSA-N
XLogP4.67
TPSA113.47 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.90
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
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-(1-methylindol-6-yl)indazol-3-yl]ethyl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 164520945
[3-[3-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-6-chloroindazol-1-yl]phenyl]methanesulfonamide
CID 175736838
N-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-7H-purin-6-amine
CID 155223231
2,4-diamino-6-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)propylamino]pyrimidine-5-carbonitrile
CID 155223185
6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one
CID 24905229
3-(3,4-dimethylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 53345583
1-propan-2-yl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905152
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
CID 24905143
3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386252

Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 164520975) is 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2ccoc2)c2c(N)ncnc21.
What is the InChIKey of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OENKMKXHMDTMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN8O/c1-13(31-23-19(22(25)27-12-28-23)21(30-31)14-6-8-33-11-14)20-17-5-4-15(24)9-18(17)32(29-20)16-3-2-7-26-10-16/h2-13H,1H3,(H2,25,27,28).
What are the key properties of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 456.90 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(furan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 164520975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).