ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C24H27N7 — CID 144980078

IUPACethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC.Cc1ccn2c(-c3ccccn3)c(C(C)n3nc(C)c4c(N)ncnc43)cc2c1
InChIInChI=1S/C22H21N7.C2H6/c1-13-7-9-28-16(10-13)11-17(20(28)18-6-4-5-8-24-18)15(3)29-22-19(14(2)27-29)21(23)25-12-26-22;1-2/h4-12,15H,1-3H3,(H2,23,25,26);1-2H3
InChIKeyGUMMXDREOUFAJO-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.98
Rot. Bonds3

About ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 144980078) has the molecular formula C24H27N7 and a molecular weight of 413.53 g/mol. Its IUPAC name is ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Nameethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID144980078
Molecular FormulaC24H27N7
Molecular Weight413.53 g/mol
Exact Mass413.23
IUPAC Nameethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC.Cc1ccn2c(-c3ccccn3)c(C(C)n3nc(C)c4c(N)ncnc43)cc2c1
InChIInChI=1S/C22H21N7.C2H6/c1-13-7-9-28-16(10-13)11-17(20(28)18-6-4-5-8-24-18)15(3)29-22-19(14(2)27-29)21(23)25-12-26-22;1-2/h4-12,15H,1-3H3,(H2,23,25,26);1-2H3
InChIKeyGUMMXDREOUFAJO-UHFFFAOYSA-N
XLogP4.98
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 144980078) is ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is CC.Cc1ccn2c(-c3ccccn3)c(C(C)n3nc(C)c4c(N)ncnc43)cc2c1.
What is the InChIKey of ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GUMMXDREOUFAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7.C2H6/c1-13-7-9-28-16(10-13)11-17(20(28)18-6-4-5-8-24-18)15(3)29-22-19(14(2)27-29)21(23)25-12-26-22;1-2/h4-12,15H,1-3H3,(H2,23,25,26);1-2H3.
What are the key properties of ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 413.53 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 144980078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).