5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile

C18H18ClF2N5O3 — CID 45483574

IUPAC5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile
SMILESCOC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C#N)c(OC(F)F)nc2C)c1=O
InChIInChI=1S/C18H18ClF2N5O3/c1-9-12(5-11(6-22)16(23-9)29-18(20)21)24-15-17(27)26(7-14(19)25-15)13(8-28-2)10-3-4-10/h5,7,10,13,18H,3-4,8H2,1-2H3,(H,24,25)/t13-/m1/s1
InChIKeyIJMQDYTVFNQBFD-CYBMUJFWSA-N
MW425.82 g/mol
LogP3.41
Rot. Bonds8

About 5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile

5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile (PubChem CID 45483574) has the molecular formula C18H18ClF2N5O3 and a molecular weight of 425.82 g/mol. Its IUPAC name is 5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile
PubChem CID45483574
Molecular FormulaC18H18ClF2N5O3
Molecular Weight425.82 g/mol
Exact Mass425.11
IUPAC Name5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile
SMILESCOC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C#N)c(OC(F)F)nc2C)c1=O
InChIInChI=1S/C18H18ClF2N5O3/c1-9-12(5-11(6-22)16(23-9)29-18(20)21)24-15-17(27)26(7-14(19)25-15)13(8-28-2)10-3-4-10/h5,7,10,13,18H,3-4,8H2,1-2H3,(H,24,25)/t13-/m1/s1
InChIKeyIJMQDYTVFNQBFD-CYBMUJFWSA-N
XLogP3.41
TPSA102.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.82
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile?
The IUPAC name of 5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile (CID 45483574) is 5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile.
What is the SMILES notation for 5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile?
The canonical SMILES for 5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile is COC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C#N)c(OC(F)F)nc2C)c1=O.
What is the InChIKey of 5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile?
The InChIKey is IJMQDYTVFNQBFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18ClF2N5O3/c1-9-12(5-11(6-22)16(23-9)29-18(20)21)24-15-17(27)26(7-14(19)25-15)13(8-28-2)10-3-4-10/h5,7,10,13,18H,3-4,8H2,1-2H3,(H,24,25)/t13-/m1/s1.
What are the key properties of 5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile?
5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile has a molecular weight of 425.82 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-4-[(1S)-1-cyclopropyl-2-methoxyethyl]-3-oxopyrazin-2-yl]amino]-2-(difluoromethoxy)-6-methylpyridine-3-carbonitrile is sourced from PubChem (CID 45483574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).