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

C19H15ClN8 — CID 177382843

IUPAC1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1ncc2c(N)ncnc21
InChIInChI=1S/C19H15ClN8/c1-11(27-19-15(9-25-27)18(21)23-10-24-19)17-14-5-4-12(20)7-16(14)28(26-17)13-3-2-6-22-8-13/h2-11H,1H3,(H2,21,23,24)
InChIKeyRXPMVBRUZZCEKM-UHFFFAOYSA-N
MW390.84 g/mol
LogP3.41
Rot. Bonds3

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

1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 177382843) has the molecular formula C19H15ClN8 and a molecular weight of 390.84 g/mol. Its IUPAC name is 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID177382843
Molecular FormulaC19H15ClN8
Molecular Weight390.84 g/mol
Exact Mass390.11
IUPAC Name1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1ncc2c(N)ncnc21
InChIInChI=1S/C19H15ClN8/c1-11(27-19-15(9-25-27)18(21)23-10-24-19)17-14-5-4-12(20)7-16(14)28(26-17)13-3-2-6-22-8-13/h2-11H,1H3,(H2,21,23,24)
InChIKeyRXPMVBRUZZCEKM-UHFFFAOYSA-N
XLogP3.41
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.84
LogP ≤ 53.41
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-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 177382843) is 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC(c1nn(-c2cccnc2)c2cc(Cl)ccc12)n1ncc2c(N)ncnc21.
What is the InChIKey of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RXPMVBRUZZCEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN8/c1-11(27-19-15(9-25-27)18(21)23-10-24-19)17-14-5-4-12(20)7-16(14)28(26-17)13-3-2-6-22-8-13/h2-11H,1H3,(H2,21,23,24).
What are the key properties of 1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-[1-(6-chloro-1-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 390.84 g/mol, XLogP of 3.41, 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-pyridin-3-ylindazol-3-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 177382843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).