3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide

C20H18F2N6O2 — CID 162113004

IUPAC3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide
SMILESCCc1cc(NC(=O)c2nccnc2N2CC(Oc3ccc(F)c(F)c3)C2)ncn1
InChIInChI=1S/C20H18F2N6O2/c1-2-12-7-17(26-11-25-12)27-20(29)18-19(24-6-5-23-18)28-9-14(10-28)30-13-3-4-15(21)16(22)8-13/h3-8,11,14H,2,9-10H2,1H3,(H,25,26,27,29)
InChIKeyZGKAFLZMEHRVMT-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.63
Rot. Bonds6

About 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide

3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide (PubChem CID 162113004) has the molecular formula C20H18F2N6O2 and a molecular weight of 412.40 g/mol. Its IUPAC name is 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide
PubChem CID162113004
Molecular FormulaC20H18F2N6O2
Molecular Weight412.40 g/mol
Exact Mass412.15
IUPAC Name3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide
SMILESCCc1cc(NC(=O)c2nccnc2N2CC(Oc3ccc(F)c(F)c3)C2)ncn1
InChIInChI=1S/C20H18F2N6O2/c1-2-12-7-17(26-11-25-12)27-20(29)18-19(24-6-5-23-18)28-9-14(10-28)30-13-3-4-15(21)16(22)8-13/h3-8,11,14H,2,9-10H2,1H3,(H,25,26,27,29)
InChIKeyZGKAFLZMEHRVMT-UHFFFAOYSA-N
XLogP2.63
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrazine-2-carboxamide
CID 165415171
3-(4-(2-aminopyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)pyrazine-2-carboxamide
CID 16222087
6-cyclopropyl-N-(3-ethoxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415117
6-cyclopropyl-N-(3-propan-2-yloxyphenyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415187
6-cyclopropyl-N-(5-propan-2-yloxy-3-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415234
6-cyclopropyl-N-(6-propan-2-yloxy-2-pyridinyl)-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415283
8-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethylamino]-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione
CID 11213437
8-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-1,3-dimethylpurino[7,8-a]pyrimidine-2,4-dione
CID 11248591
3-[[2-[4-(2,6-difluorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-N-methylpyrazine-2-carboxamide
CID 44425975
N-[3-[[5-fluoro-2-[(6-propan-2-yloxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 59174656
N-[(2S)-1-methoxypropan-2-yl]-3-[4-(pyridin-2-ylamino)phenoxy]pyrazine-2-carboxamide
CID 59374193
6-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 72201440

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide (CID 162113004) is 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide is CCc1cc(NC(=O)c2nccnc2N2CC(Oc3ccc(F)c(F)c3)C2)ncn1.
What is the InChIKey of 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide?
The InChIKey is ZGKAFLZMEHRVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O2/c1-2-12-7-17(26-11-25-12)27-20(29)18-19(24-6-5-23-18)28-9-14(10-28)30-13-3-4-15(21)16(22)8-13/h3-8,11,14H,2,9-10H2,1H3,(H,25,26,27,29).
What are the key properties of 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide?
3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide has a molecular weight of 412.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-difluorophenoxy)azetidin-1-yl]-N-(6-ethylpyrimidin-4-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 162113004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).