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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Related Compounds

tert-butyl 2-[[2-[1-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethyl]indolizin-3-yl]methyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 144980060
3-[4-amino-1-[1-[3-[(2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)methyl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118573110
6-[2-[1-[4-amino-3-(3-fluoro-5-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]indolizin-3-yl]-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 118572891
tert-butyl formate;ethane;3-methyl-1-[1-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 144980091
ethane;3-methyl-1-[1-(7-methyl-3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 144980078
3-[4-amino-1-[1-[3-[6-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118573395
3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde
CID 118572953
3-(3-amino-5-fluorophenyl)-1-[1-(3-pyridin-2-ylindolizin-2-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 118573005
tert-butyl 4-[2-[1-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]indolizin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 118573419
1-[3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]indolizin-2-yl]ethanol
CID 118572896
3-[4-amino-1-[1-[3-[3-(1-methylpyrrolidin-2-yl)phenyl]indolizin-2-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 118573218
3-[1-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]-4-[4-(morpholin-4-ylmethyl)phenyl]isochromen-1-one;hydrochloride
CID 118131466

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).