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

C23H30N8O2 — CID 117081176

IUPAC1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one
SMILESCCCNc1nc(-c2ccc(N3CCOCC3)nc2)nc2c1ncn2CCN1CCCC1=O
InChIInChI=1S/C23H30N8O2/c1-2-7-24-22-20-23(31(16-26-20)10-9-30-8-3-4-19(30)32)28-21(27-22)17-5-6-18(25-15-17)29-11-13-33-14-12-29/h5-6,15-16H,2-4,7-14H2,1H3,(H,24,27,28)
InChIKeyJCQWDXROEJVIJF-UHFFFAOYSA-N
MW450.55 g/mol
LogP2.17
Rot. Bonds8

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

1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one (PubChem CID 117081176) has the molecular formula C23H30N8O2 and a molecular weight of 450.55 g/mol. Its IUPAC name is 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one
PubChem CID117081176
Molecular FormulaC23H30N8O2
Molecular Weight450.55 g/mol
Exact Mass450.25
IUPAC Name1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one
SMILESCCCNc1nc(-c2ccc(N3CCOCC3)nc2)nc2c1ncn2CCN1CCCC1=O
InChIInChI=1S/C23H30N8O2/c1-2-7-24-22-20-23(31(16-26-20)10-9-30-8-3-4-19(30)32)28-21(27-22)17-5-6-18(25-15-17)29-11-13-33-14-12-29/h5-6,15-16H,2-4,7-14H2,1H3,(H,24,27,28)
InChIKeyJCQWDXROEJVIJF-UHFFFAOYSA-N
XLogP2.17
TPSA101.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

Ribociclib
CID 44631912
Vs-5584
CID 46912230
Gsk-3494245
CID 126571915
3-[(3r)-3-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl]-3-Oxopropanenitrile
CID 53341457
8-(1H-indol-4-yl)-2,6-bis((3R)-3-methylmorpholin-4-yl)-7H-purine
CID 60148794
8-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]-2-[(3S)-3-methylmorpholin-4-yl]-9H-purine
CID 60148924
(2R,3S)-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol
CID 9842276
(3RS,4R)-4-{9-Isopropyl-6-[(pyridin-3-ylmethyl)-amino]-9H-purin-2-ylamino}-hexan-3-ol
CID 12111409
Bms-066
CID 24825710
[4-(Imidazo[4,5-D]pyrrolo[2,3-B]pyridin-1(6h)-Yl)piperidin-1-Yl][(2s)-1-(Propan-2-Yl)pyrrolidin-2-Yl]methanone
CID 53341544
1-{1-[8-(1-Ethyl-5-methyl-1H-pyrazol-4-yl)-9-methyl-9H-purin-6-yl]piperidin-4-yl}-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
CID 66802145
2,2-Dimethyl-3-[(4-{[2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Yl]amino}pyrimidin-2-Yl)amino]propanamide
CID 76280903

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one (CID 117081176) is 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one is CCCNc1nc(-c2ccc(N3CCOCC3)nc2)nc2c1ncn2CCN1CCCC1=O.
What is the InChIKey of 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
The InChIKey is JCQWDXROEJVIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O2/c1-2-7-24-22-20-23(31(16-26-20)10-9-30-8-3-4-19(30)32)28-21(27-22)17-5-6-18(25-15-17)29-11-13-33-14-12-29/h5-6,15-16H,2-4,7-14H2,1H3,(H,24,27,28).
What are the key properties of 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one?
1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one has a molecular weight of 450.55 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(6-morpholin-4-yl-3-pyridinyl)-6-(propylamino)purin-9-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 117081176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).