1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one

C18H22F2N4O3 — CID 67076089

IUPAC1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
SMILESCOC[C@H](C1CC1)n1ccnc(Nc2cc(C)c(OC(F)F)nc2C)c1=O
InChIInChI=1S/C18H22F2N4O3/c1-10-8-13(11(2)22-16(10)27-18(19)20)23-15-17(25)24(7-6-21-15)14(9-26-3)12-4-5-12/h6-8,12,14,18H,4-5,9H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeySSEITISSVRVLBI-CQSZACIVSA-N
MW380.40 g/mol
LogP3.20
Rot. Bonds8

About 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one

1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one (PubChem CID 67076089) has the molecular formula C18H22F2N4O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
PubChem CID67076089
Molecular FormulaC18H22F2N4O3
Molecular Weight380.40 g/mol
Exact Mass380.17
IUPAC Name1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
SMILESCOC[C@H](C1CC1)n1ccnc(Nc2cc(C)c(OC(F)F)nc2C)c1=O
InChIInChI=1S/C18H22F2N4O3/c1-10-8-13(11(2)22-16(10)27-18(19)20)23-15-17(25)24(7-6-21-15)14(9-26-3)12-4-5-12/h6-8,12,14,18H,4-5,9H2,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeySSEITISSVRVLBI-CQSZACIVSA-N
XLogP3.20
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one with MolForge

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Related Compounds

(R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino)pyrazin-2(1H)-one
CID 44596586
(S)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino)pyrazin-2(1H)-one
CID 44596589
(R)-5-Chloro-1-(1-cyclopropylpropyl)-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)pyrazin-2(1H)-one
CID 44596809
[(2S)-2-[5-chloro-3-[[6-(difluoromethoxy)-2,5-dimethylpyridin-3-yl]amino]-2-oxopyrazin-1-yl]-2-cyclopropylethyl] N-phenylcarbamate
CID 44610627
(R)-5-Chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-[6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino]pyrazin-2(1H)-one
CID 44596588
(R)-5-Chloro-1-(1-cyclopropylethyl)-3-[6-(difluoromethoxy)-2,5-dimethylpyridin-3-ylamino]pyrazin-2(1H)-one
CID 44596812
(R)-4-(1-Cyclopropylethyl)-6-(6-(difluoromethoxy)-2,5-dimethyl-pyridin-3-ylamino)-5-oxo-4,5-dihydropyrazine-2-carbonitrile
CID 45483573
5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile
CID 45483574
(R)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(6-(difluoromethoxy)-2-methylpyridin-3-ylamino)pyrazin-2(1H)-one
CID 46881834
(S)-4-(1-Cyclopropyl-2-methoxyethyl)-6-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-5-oxo-4,5-dihydropyrazine-2-carbonitrile
CID 44596700
(R)-4-(1-Cyclopropylpropyl)-6-(6-methoxy-2,5-dimethylpyridin-3-ylamino)-5-oxo-4,5-dihydropyrazine-2-carbonitrile
CID 44596701
(S)-5-Chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(6-methoxy-2,5-dimethylpyridin-3-ylamino)pyrazin-2(1H)-one
CID 44596807

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
The IUPAC name of 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one (CID 67076089) is 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
The canonical SMILES for 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one is COC[C@H](C1CC1)n1ccnc(Nc2cc(C)c(OC(F)F)nc2C)c1=O.
What is the InChIKey of 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
The InChIKey is SSEITISSVRVLBI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22F2N4O3/c1-10-8-13(11(2)22-16(10)27-18(19)20)23-15-17(25)24(7-6-21-15)14(9-26-3)12-4-5-12/h6-8,12,14,18H,4-5,9H2,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one has a molecular weight of 380.40 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one is sourced from PubChem (CID 67076089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).