oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate

C24H33N7O5 — CID 143826821

IUPACoxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate
SMILESNc1nc(CC2CCN(C(=O)OC3CCOC3)CC2)nc2c1ncn2[C@H]1CC[C@@H](C(=O)NC2CC2)O1
InChIInChI=1S/C24H33N7O5/c25-21-20-22(31(13-26-20)19-4-3-17(36-19)23(32)27-15-1-2-15)29-18(28-21)11-14-5-8-30(9-6-14)24(33)35-16-7-10-34-12-16/h13-17,19H,1-12H2,(H,27,32)(H2,25,28,29)/t16?,17-,19+/m0/s1
InChIKeyOANAUEJAEYKZEG-WFTITGEASA-N
MW499.57 g/mol
LogP1.54
Rot. Bonds6

About oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate

oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate (PubChem CID 143826821) has the molecular formula C24H33N7O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate
PubChem CID143826821
Molecular FormulaC24H33N7O5
Molecular Weight499.57 g/mol
Exact Mass499.25
IUPAC Nameoxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate
SMILESNc1nc(CC2CCN(C(=O)OC3CCOC3)CC2)nc2c1ncn2[C@H]1CC[C@@H](C(=O)NC2CC2)O1
InChIInChI=1S/C24H33N7O5/c25-21-20-22(31(13-26-20)19-4-3-17(36-19)23(32)27-15-1-2-15)29-18(28-21)11-14-5-8-30(9-6-14)24(33)35-16-7-10-34-12-16/h13-17,19H,1-12H2,(H,27,32)(H2,25,28,29)/t16?,17-,19+/m0/s1
InChIKeyOANAUEJAEYKZEG-WFTITGEASA-N
XLogP1.54
TPSA146.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

oxolan-3-yl 4-[3-[6-amino-9-[(2R,4R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 58092481
(4-aminophenyl) 4-[[6-amino-9-[(2R,4R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate
CID 89323916
ethane;oxolan-3-yl 4-[3-[6-amino-9-[(2R,4R,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 123457002
(4-chlorophenyl) 4-[[6-amino-9-[(2R,4R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate
CID 89324057
cyclopentyl 4-[2-[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]ethyl]piperidine-1-carboxylate
CID 70915452
cyclobutyl 4-[3-[6-amino-9-[(2R,3S,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate;ethane
CID 91352228
oxolan-3-ylmethyl 4-[3-[6-amino-9-[(2R,4R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 58092439
(3,4-dichlorophenyl) 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate
CID 70373041
(3-oxocyclobutyl) 4-[3-[6-amino-9-[(2R,4R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 58092447
ethane;oxolan-3-ylmethyl 4-[3-[6-amino-9-[(2R,4R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 123747309
(1-methyl-5-oxopyrrolidin-3-yl)methyl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate
CID 70915449
(5-oxopyrrolidin-3-yl) 4-[3-[6-amino-9-[(2R,4R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]propyl]piperidine-1-carboxylate
CID 58092463

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate (CID 143826821) is oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate is Nc1nc(CC2CCN(C(=O)OC3CCOC3)CC2)nc2c1ncn2[C@H]1CC[C@@H](C(=O)NC2CC2)O1.
What is the InChIKey of oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate?
The InChIKey is OANAUEJAEYKZEG-WFTITGEASA-N. The full InChI is InChI=1S/C24H33N7O5/c25-21-20-22(31(13-26-20)19-4-3-17(36-19)23(32)27-15-1-2-15)29-18(28-21)11-14-5-8-30(9-6-14)24(33)35-16-7-10-34-12-16/h13-17,19H,1-12H2,(H,27,32)(H2,25,28,29)/t16?,17-,19+/m0/s1.
What are the key properties of oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate?
oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate has a molecular weight of 499.57 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 143826821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).