4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile

C18H18N6 — CID 71061195

IUPAC4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile
SMILESC[C@@H](Nc1c(C#N)nnc2cc(-c3cnn(C)c3)ccc12)C1CC1
InChIInChI=1S/C18H18N6/c1-11(12-3-4-12)21-18-15-6-5-13(14-9-20-24(2)10-14)7-16(15)22-23-17(18)8-19/h5-7,9-12H,3-4H2,1-2H3,(H,21,22)/t11-/m1/s1
InChIKeyUKFKNIYXGNESSF-LLVKDONJSA-N
MW318.38 g/mol
LogP3.11
Rot. Bonds4

About 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile

4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile (PubChem CID 71061195) has the molecular formula C18H18N6 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile
PubChem CID71061195
Molecular FormulaC18H18N6
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile
SMILESC[C@@H](Nc1c(C#N)nnc2cc(-c3cnn(C)c3)ccc12)C1CC1
InChIInChI=1S/C18H18N6/c1-11(12-3-4-12)21-18-15-6-5-13(14-9-20-24(2)10-14)7-16(15)22-23-17(18)8-19/h5-7,9-12H,3-4H2,1-2H3,(H,21,22)/t11-/m1/s1
InChIKeyUKFKNIYXGNESSF-LLVKDONJSA-N
XLogP3.11
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-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 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile?
The IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile (CID 71061195) is 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile?
The canonical SMILES for 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile is C[C@@H](Nc1c(C#N)nnc2cc(-c3cnn(C)c3)ccc12)C1CC1.
What is the InChIKey of 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile?
The InChIKey is UKFKNIYXGNESSF-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18N6/c1-11(12-3-4-12)21-18-15-6-5-13(14-9-20-24(2)10-14)7-16(15)22-23-17(18)8-19/h5-7,9-12H,3-4H2,1-2H3,(H,21,22)/t11-/m1/s1.
What are the key properties of 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile?
4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile has a molecular weight of 318.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-cyclopropylethyl]amino]-7-(1-methylpyrazol-4-yl)cinnoline-3-carbonitrile is sourced from PubChem (CID 71061195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).