3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C21H25N7O — CID 139384697

IUPAC3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C(C)c2cc3ccccn3c2CN2CCOCC2)c2ncnc(N)c12
InChIInChI=1S/C21H25N7O/c1-14-19-20(22)23-13-24-21(19)28(25-14)15(2)17-11-16-5-3-4-6-27(16)18(17)12-26-7-9-29-10-8-26/h3-6,11,13,15H,7-10,12H2,1-2H3,(H2,22,23,24)
InChIKeyDXXAOQWESXFAHX-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.41
Rot. Bonds4

About 3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine

3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 139384697) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID139384697
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C(C)c2cc3ccccn3c2CN2CCOCC2)c2ncnc(N)c12
InChIInChI=1S/C21H25N7O/c1-14-19-20(22)23-13-24-21(19)28(25-14)15(2)17-11-16-5-3-4-6-27(16)18(17)12-26-7-9-29-10-8-26/h3-6,11,13,15H,7-10,12H2,1-2H3,(H2,22,23,24)
InChIKeyDXXAOQWESXFAHX-UHFFFAOYSA-N
XLogP2.41
TPSA86.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 139384697) is 3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C(C)c2cc3ccccn3c2CN2CCOCC2)c2ncnc(N)c12.
What is the InChIKey of 3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DXXAOQWESXFAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-14-19-20(22)23-13-24-21(19)28(25-14)15(2)17-11-16-5-3-4-6-27(16)18(17)12-26-7-9-29-10-8-26/h3-6,11,13,15H,7-10,12H2,1-2H3,(H2,22,23,24).
What are the key properties of 3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 391.48 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-[3-(morpholin-4-ylmethyl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 139384697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).