5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one

C17H19ClN4O2 — CID 46881746

IUPAC5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one
SMILESCc1nc2c(cc1Nc1nc(Cl)cn([C@H](C)C3CC3)c1=O)COC2
InChIInChI=1S/C17H19ClN4O2/c1-9-13(5-12-7-24-8-14(12)19-9)20-16-17(23)22(6-15(18)21-16)10(2)11-3-4-11/h5-6,10-11H,3-4,7-8H2,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyKFIJAXDSLJTZBJ-SNVBAGLBSA-N
MW346.82 g/mol
LogP3.34
Rot. Bonds4

About 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one

5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one (PubChem CID 46881746) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one
PubChem CID46881746
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one
SMILESCc1nc2c(cc1Nc1nc(Cl)cn([C@H](C)C3CC3)c1=O)COC2
InChIInChI=1S/C17H19ClN4O2/c1-9-13(5-12-7-24-8-14(12)19-9)20-16-17(23)22(6-15(18)21-16)10(2)11-3-4-11/h5-6,10-11H,3-4,7-8H2,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyKFIJAXDSLJTZBJ-SNVBAGLBSA-N
XLogP3.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one with MolForge

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Related Compounds

5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrazin-2-one
CID 44596810
5-[[6-chloro-4-[(1R)-1-cyclopropylethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile
CID 45483573
[(2R)-2-[5-chloro-3-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-2-oxopyrazin-1-yl]-2-cyclopropylethyl] N-butylcarbamate
CID 67160352
4-[(1R)-1-cyclopropylpropyl]-6-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-5-oxopyrazine-2-carbonitrile
CID 44596701
5-chloro-1-(1,3-dimethoxypropan-2-yl)-3-(2,4,6-trimethylanilino)pyrazin-2-one
CID 15485774
3-chloro-4-[[6-chloro-4-[(1R)-1-cyclopropyl-2-(2-fluoroethoxy)ethyl]-3-oxopyrazin-2-yl]amino]-5-methylbenzonitrile
CID 71580313
4,6-dichloro-2-[(1R)-1-cyclopropylethyl]-1H-pyrrolo[3,4-c]pyridin-3-one
CID 155194038
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
CID 67076089
5-bromo-1-(2-cyclopropyl-2-methoxyethyl)-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
CID 67102289
5-cyclopropyl-2-(1-cyclopropylethyl)-1H-pyrazol-3-one
CID 66022946
5-bromo-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one;4-[(1R)-1-cyclopropylpropyl]-6-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]-5-oxopyrazine-2-carbonitrile;3,5-dibromo-1-[(1R)-1-cyclopropylpropyl]pyrazin-2-one;6-(difluoromethoxy)-2,5-dimethylpyridin-3-amine;oxolane
CID 159453881
3-amino-5-chloro-1-propan-2-ylpyrazin-2-one
CID 55270264

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one?
The IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one (CID 46881746) is 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one?
The canonical SMILES for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one is Cc1nc2c(cc1Nc1nc(Cl)cn([C@H](C)C3CC3)c1=O)COC2.
What is the InChIKey of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one?
The InChIKey is KFIJAXDSLJTZBJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-9-13(5-12-7-24-8-14(12)19-9)20-16-17(23)22(6-15(18)21-16)10(2)11-3-4-11/h5-6,10-11H,3-4,7-8H2,1-2H3,(H,20,21)/t10-/m1/s1.
What are the key properties of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one?
5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one has a molecular weight of 346.82 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2-methyl-5,7-dihydrofuro[3,4-b]pyridin-3-yl)amino]pyrazin-2-one is sourced from PubChem (CID 46881746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).