5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C21H24N8O — CID 166726460

IUPAC5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCNC1CC[C@@H](Nc2ccc(-c3cc(Nc4cnc(C#N)cn4)n[nH]3)c(OC)c2)C1
InChIInChI=1S/C21H24N8O/c1-23-13-3-4-14(7-13)26-15-5-6-17(19(8-15)30-2)18-9-20(29-28-18)27-21-12-24-16(10-22)11-25-21/h5-6,8-9,11-14,23,26H,3-4,7H2,1-2H3,(H2,25,27,28,29)/t13?,14-/m1/s1
InChIKeyTVKZOULLVGEXQN-ARLHGKGLSA-N
MW404.48 g/mol
LogP3.04
Rot. Bonds7

About 5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 166726460) has the molecular formula C21H24N8O and a molecular weight of 404.48 g/mol. Its IUPAC name is 5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID166726460
Molecular FormulaC21H24N8O
Molecular Weight404.48 g/mol
Exact Mass404.21
IUPAC Name5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESCNC1CC[C@@H](Nc2ccc(-c3cc(Nc4cnc(C#N)cn4)n[nH]3)c(OC)c2)C1
InChIInChI=1S/C21H24N8O/c1-23-13-3-4-14(7-13)26-15-5-6-17(19(8-15)30-2)18-9-20(29-28-18)27-21-12-24-16(10-22)11-25-21/h5-6,8-9,11-14,23,26H,3-4,7H2,1-2H3,(H2,25,27,28,29)/t13?,14-/m1/s1
InChIKeyTVKZOULLVGEXQN-ARLHGKGLSA-N
XLogP3.04
TPSA123.57 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-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-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 166726460) is 5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is CNC1CC[C@@H](Nc2ccc(-c3cc(Nc4cnc(C#N)cn4)n[nH]3)c(OC)c2)C1.
What is the InChIKey of 5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is TVKZOULLVGEXQN-ARLHGKGLSA-N. The full InChI is InChI=1S/C21H24N8O/c1-23-13-3-4-14(7-13)26-15-5-6-17(19(8-15)30-2)18-9-20(29-28-18)27-21-12-24-16(10-22)11-25-21/h5-6,8-9,11-14,23,26H,3-4,7H2,1-2H3,(H2,25,27,28,29)/t13?,14-/m1/s1.
What are the key properties of 5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 404.48 g/mol, XLogP of 3.04, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 166726460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).