Skip to content

Methyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate

C25H31N9O2 — CID 155514207

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C2CCC(Nc3nc(Nc4cnn(C)c4)nc4ccc(C#N)cc34)CC2)CC1
InChIInChI=1S/C25H31N9O2/c1-32-16-19(15-27-32)29-24-30-22-8-3-17(14-26)13-21(22)23(31-24)28-18-4-6-20(7-5-18)33-9-11-34(12-10-33)25(35)36-2/h3,8,13,15-16,18,20H,4-7,9-12H2,1-2H3,(H2,28,29,30,31)
InChIKeyDCSHSAZUNMHCER-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.09
Rot. Bonds5

About Methyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate

Methyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate (PubChem CID 155514207) has the molecular formula C25H31N9O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is methyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate.

Molecular Properties

Compound NameMethyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate
PubChem CID155514207
Molecular FormulaC25H31N9O2
Molecular Weight489.58 g/mol
Exact Mass489.26
IUPAC Namemethyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C2CCC(Nc3nc(Nc4cnn(C)c4)nc4ccc(C#N)cc34)CC2)CC1
InChIInChI=1S/C25H31N9O2/c1-32-16-19(15-27-32)29-24-30-22-8-3-17(14-26)13-21(22)23(31-24)28-18-4-6-20(7-5-18)33-9-11-34(12-10-33)25(35)36-2/h3,8,13,15-16,18,20H,4-7,9-12H2,1-2H3,(H2,28,29,30,31)
InChIKeyDCSHSAZUNMHCER-UHFFFAOYSA-N
XLogP3.09
TPSA124.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze Methyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate 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 Methyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate?
The IUPAC name of Methyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate (CID 155514207) is methyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate.
What is the SMILES notation for Methyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate?
The canonical SMILES for Methyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate is COC(=O)N1CCN(C2CCC(Nc3nc(Nc4cnn(C)c4)nc4ccc(C#N)cc34)CC2)CC1.
What is the InChIKey of Methyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate?
The InChIKey is DCSHSAZUNMHCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N9O2/c1-32-16-19(15-27-32)29-24-30-22-8-3-17(14-26)13-21(22)23(31-24)28-18-4-6-20(7-5-18)33-9-11-34(12-10-33)25(35)36-2/h3,8,13,15-16,18,20H,4-7,9-12H2,1-2H3,(H2,28,29,30,31).
What are the key properties of Methyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate?
Methyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate has a molecular weight of 489.58 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 4-[4-[[6-cyano-2-[(1-methylpyrazol-4-yl)amino]quinazolin-4-yl]amino]cyclohexyl]piperazine-1-carboxylate is sourced from PubChem (CID 155514207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.