5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one

C18H21ClF2N4O2 — CID 44596586

IUPAC5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
SMILESCC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O
InChIInChI=1S/C18H21ClF2N4O2/c1-4-13(11-5-6-11)25-8-14(19)24-15(17(25)26)23-12-7-9(2)16(22-10(12)3)27-18(20)21/h7-8,11,13,18H,4-6H2,1-3H3,(H,23,24)/t13-/m1/s1
InChIKeyHGVBNYJGSACRNS-CYBMUJFWSA-N
MW398.84 g/mol
LogP4.61
Rot. Bonds7

About 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one

5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one (PubChem CID 44596586) has the molecular formula C18H21ClF2N4O2 and a molecular weight of 398.84 g/mol. Its IUPAC name is 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
PubChem CID44596586
Molecular FormulaC18H21ClF2N4O2
Molecular Weight398.84 g/mol
Exact Mass398.13
IUPAC Name5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one
SMILESCC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O
InChIInChI=1S/C18H21ClF2N4O2/c1-4-13(11-5-6-11)25-8-14(19)24-15(17(25)26)23-12-7-9(2)16(22-10(12)3)27-18(20)21/h7-8,11,13,18H,4-6H2,1-3H3,(H,23,24)/t13-/m1/s1
InChIKeyHGVBNYJGSACRNS-CYBMUJFWSA-N
XLogP4.61
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.84
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
The IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one (CID 44596586) is 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
The canonical SMILES for 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one is CC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC(F)F)nc2C)c1=O.
What is the InChIKey of 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
The InChIKey is HGVBNYJGSACRNS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21ClF2N4O2/c1-4-13(11-5-6-11)25-8-14(19)24-15(17(25)26)23-12-7-9(2)16(22-10(12)3)27-18(20)21/h7-8,11,13,18H,4-6H2,1-3H3,(H,23,24)/t13-/m1/s1.
What are the key properties of 5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one?
5-chloro-1-[(1R)-1-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one has a molecular weight of 398.84 g/mol, XLogP of 4.61, 7 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-cyclopropylpropyl]-3-[[6-(difluoromethoxy)-2,5-dimethyl-3-pyridinyl]amino]pyrazin-2-one is sourced from PubChem (CID 44596586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).