5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile

C23H28N8O2 — CID 151230948

IUPAC5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile
SMILESCOc1cc(N2CCN(C(C)C)[C@H](C)C2)ccc1-c1cc(Nc2c[nH]c(=O)c(C#N)n2)n[nH]1
InChIInChI=1S/C23H28N8O2/c1-14(2)31-8-7-30(13-15(31)3)16-5-6-17(20(9-16)33-4)18-10-21(29-28-18)27-22-12-25-23(32)19(11-24)26-22/h5-6,9-10,12,14-15H,7-8,13H2,1-4H3,(H,25,32)(H2,26,27,28,29)/t15-/m1/s1
InChIKeyNOGWDDACPPNTKX-OAHLLOKOSA-N
MW448.53 g/mol
LogP2.70
Rot. Bonds6

About 5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile

5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile (PubChem CID 151230948) has the molecular formula C23H28N8O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile.

Molecular Properties

Compound Name5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile
PubChem CID151230948
Molecular FormulaC23H28N8O2
Molecular Weight448.53 g/mol
Exact Mass448.23
IUPAC Name5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile
SMILESCOc1cc(N2CCN(C(C)C)[C@H](C)C2)ccc1-c1cc(Nc2c[nH]c(=O)c(C#N)n2)n[nH]1
InChIInChI=1S/C23H28N8O2/c1-14(2)31-8-7-30(13-15(31)3)16-5-6-17(20(9-16)33-4)18-10-21(29-28-18)27-22-12-25-23(32)19(11-24)26-22/h5-6,9-10,12,14-15H,7-8,13H2,1-4H3,(H,25,32)(H2,26,27,28,29)/t15-/m1/s1
InChIKeyNOGWDDACPPNTKX-OAHLLOKOSA-N
XLogP2.70
TPSA125.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[5-[4-[(3R)-4-ethyl-3-methylpiperazin-1-yl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile;hydrochloride
CID 142751525
3-[[5-(2-methoxy-4-piperidin-4-yloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 141463314
5-[[5-[2-methoxy-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxymethyl]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294914
5-[[5-[2-methoxy-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294952
N-[5-[4-(3,3-dimethylpiperazin-1-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]-5-isocyanopyrazin-2-amine
CID 140756708
5-[[5-[4-(3-fluoro-1-methylazetidin-3-yl)-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294792
tert-butyl 4-[4-[3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-5-yl]-3-methoxyphenyl]-4-fluoropiperidine-1-carboxylate
CID 118294597
5-[[5-[4-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294831
5-isocyano-N-[5-[2-methoxy-4-[(3R)-1-propan-2-ylpyrrolidin-3-yl]oxyphenyl]-1H-pyrazol-3-yl]pyrazin-2-amine
CID 140756679
5-[[5-[2-methoxy-4-(1-methylpiperidin-4-yl)phenyl]-1H-pyrazol-3-yl]amino]pyridine-2-carbonitrile
CID 118294973
2-(azepan-1-yl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]-6-propan-2-ylpyrimidine-4-carboxamide
CID 91954044
5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166726460

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile?
The IUPAC name of 5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile (CID 151230948) is 5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile.
What is the SMILES notation for 5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile?
The canonical SMILES for 5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile is COc1cc(N2CCN(C(C)C)[C@H](C)C2)ccc1-c1cc(Nc2c[nH]c(=O)c(C#N)n2)n[nH]1.
What is the InChIKey of 5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile?
The InChIKey is NOGWDDACPPNTKX-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28N8O2/c1-14(2)31-8-7-30(13-15(31)3)16-5-6-17(20(9-16)33-4)18-10-21(29-28-18)27-22-12-25-23(32)19(11-24)26-22/h5-6,9-10,12,14-15H,7-8,13H2,1-4H3,(H,25,32)(H2,26,27,28,29)/t15-/m1/s1.
What are the key properties of 5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile?
5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile has a molecular weight of 448.53 g/mol, XLogP of 2.70, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[2-methoxy-4-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]phenyl]-1H-pyrazol-3-yl]amino]-2-oxo-1H-pyrazine-3-carbonitrile is sourced from PubChem (CID 151230948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).