3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile

C23H22N6O3 — CID 155275823

IUPAC3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile
SMILESCOc1ccc(COc2cccc(OC)c2-c2cc(NC3=NC=C(C#N)NC3)n[nH]2)cc1
InChIInChI=1S/C23H22N6O3/c1-30-17-8-6-15(7-9-17)14-32-20-5-3-4-19(31-2)23(20)18-10-21(29-28-18)27-22-13-25-16(11-24)12-26-22/h3-10,12,25H,13-14H2,1-2H3,(H2,26,27,28,29)
InChIKeyAMVWVLZEYGRIDA-UHFFFAOYSA-N
MW430.47 g/mol
LogP3.45
Rot. Bonds7

About 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile

3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile (PubChem CID 155275823) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile.

Molecular Properties

Compound Name3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile
PubChem CID155275823
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile
SMILESCOc1ccc(COc2cccc(OC)c2-c2cc(NC3=NC=C(C#N)NC3)n[nH]2)cc1
InChIInChI=1S/C23H22N6O3/c1-30-17-8-6-15(7-9-17)14-32-20-5-3-4-19(31-2)23(20)18-10-21(29-28-18)27-22-13-25-16(11-24)12-26-22/h3-10,12,25H,13-14H2,1-2H3,(H2,26,27,28,29)
InChIKeyAMVWVLZEYGRIDA-UHFFFAOYSA-N
XLogP3.45
TPSA116.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile?
The IUPAC name of 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile (CID 155275823) is 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile.
What is the SMILES notation for 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile?
The canonical SMILES for 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile is COc1ccc(COc2cccc(OC)c2-c2cc(NC3=NC=C(C#N)NC3)n[nH]2)cc1.
What is the InChIKey of 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile?
The InChIKey is AMVWVLZEYGRIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c1-30-17-8-6-15(7-9-17)14-32-20-5-3-4-19(31-2)23(20)18-10-21(29-28-18)27-22-13-25-16(11-24)12-26-22/h3-10,12,25H,13-14H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile?
3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile has a molecular weight of 430.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-yl]amino]-1,2-dihydropyrazine-6-carbonitrile is sourced from PubChem (CID 155275823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).