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

C23H19ClN10 — CID 164520947

IUPAC1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cnn(C)c2)c2c(N)ncnc21
InChIInChI=1S/C23H19ClN10/c1-13(20-17-6-5-15(24)8-18(17)34(30-20)16-4-3-7-26-10-16)33-23-19(22(25)27-12-28-23)21(31-33)14-9-29-32(2)11-14/h3-13H,1-2H3,(H2,25,27,28)
InChIKeyQUSVDDKMJMRGPI-UHFFFAOYSA-N
MW470.93 g/mol
LogP3.81
Rot. Bonds4

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

1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 164520947) has the molecular formula C23H19ClN10 and a molecular weight of 470.93 g/mol. Its IUPAC name is 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID164520947
Molecular FormulaC23H19ClN10
Molecular Weight470.93 g/mol
Exact Mass470.15
IUPAC Name1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cnn(C)c2)c2c(N)ncnc21
InChIInChI=1S/C23H19ClN10/c1-13(20-17-6-5-15(24)8-18(17)34(30-20)16-4-3-7-26-10-16)33-23-19(22(25)27-12-28-23)21(31-33)14-9-29-32(2)11-14/h3-13H,1-2H3,(H2,25,27,28)
InChIKeyQUSVDDKMJMRGPI-UHFFFAOYSA-N
XLogP3.81
TPSA118.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.93
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 164520947) is 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1nc(-c2cnn(C)c2)c2c(N)ncnc21.
What is the InChIKey of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is QUSVDDKMJMRGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN10/c1-13(20-17-6-5-15(24)8-18(17)34(30-20)16-4-3-7-26-10-16)33-23-19(22(25)27-12-28-23)21(31-33)14-9-29-32(2)11-14/h3-13H,1-2H3,(H2,25,27,28).
What are the key properties of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 470.93 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 164520947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).