1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one

C26H29N9O2 — CID 117091743

IUPAC1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCn1cnc2c(NCc3cccnc3)nc(-c3ccc(N4CCOCC4)nc3)nc21
InChIInChI=1S/C26H29N9O2/c36-22-4-2-8-34(22)9-10-35-18-30-23-25(29-16-19-3-1-7-27-15-19)31-24(32-26(23)35)20-5-6-21(28-17-20)33-11-13-37-14-12-33/h1,3,5-7,15,17-18H,2,4,8-14,16H2,(H,29,31,32)
InChIKeyFNIWWNMUMDZSCL-UHFFFAOYSA-N
MW499.58 g/mol
LogP2.35
Rot. Bonds8

About 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one

1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one (PubChem CID 117091743) has the molecular formula C26H29N9O2 and a molecular weight of 499.58 g/mol. Its IUPAC name is 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
PubChem CID117091743
Molecular FormulaC26H29N9O2
Molecular Weight499.58 g/mol
Exact Mass499.24
IUPAC Name1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCn1cnc2c(NCc3cccnc3)nc(-c3ccc(N4CCOCC4)nc3)nc21
InChIInChI=1S/C26H29N9O2/c36-22-4-2-8-34(22)9-10-35-18-30-23-25(29-16-19-3-1-7-27-15-19)31-24(32-26(23)35)20-5-6-21(28-17-20)33-11-13-37-14-12-33/h1,3,5-7,15,17-18H,2,4,8-14,16H2,(H,29,31,32)
InChIKeyFNIWWNMUMDZSCL-UHFFFAOYSA-N
XLogP2.35
TPSA114.19 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

Vs-5584
CID 46912230
Gsk-3494245
CID 126571915
Ethanone, 1-(7,8-dihydro-2-((9-(trans-4-methylcyclohexyl)-9H-pyrido(4',3':4,5)pyrrolo(2,3-d)pyrimidin-2-yl)amino)-1,6-naphthyridin-6(5H)-yl)-2-hydroxy-
CID 60202647
3-[(3r)-3-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl]-3-Oxopropanenitrile
CID 53341457
Bms-066
CID 24825710
5-(2-Morpholin-4-Yl-7-Pyridin-3-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine
CID 24889936
9-Cyclopentyl-N-(5-Piperazin-1-Ylpyridin-2-Yl)pyrido[4,5]pyrrolo[1,2-D]pyrimidin-2-Amine
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US9266891, III-19
CID 90161075
1-[4-(3-ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-pyridin-4-ylurea
CID 44187604
1-[4-(3-Ethyl-7-morpholin-4-yl-3H-[1,2,3]triazolo-[4,5-d]pyrimidin-5-yl)phenyl]-3-pyridin-3-ylurea
CID 44187783
1-(4-(3-cyclopropyl-7-morpholino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl)-3-(pyridin-4-yl)urea
CID 44188840
1-[4-(3-isopropyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)-phenyl]-3-pyridin-4-yl-urea
CID 44188842

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one (CID 117091743) is 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCn1cnc2c(NCc3cccnc3)nc(-c3ccc(N4CCOCC4)nc3)nc21.
What is the InChIKey of 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
The InChIKey is FNIWWNMUMDZSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N9O2/c36-22-4-2-8-34(22)9-10-35-18-30-23-25(29-16-19-3-1-7-27-15-19)31-24(32-26(23)35)20-5-6-21(28-17-20)33-11-13-37-14-12-33/h1,3,5-7,15,17-18H,2,4,8-14,16H2,(H,29,31,32).
What are the key properties of 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one has a molecular weight of 499.58 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 117091743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).