6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile

C28H31N5O2 — CID 90301779

IUPAC6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c(-c3cccc4cnccc34)c(C)c2C#N)C[C@H]1C
InChIInChI=1S/C28H31N5O2/c1-18-17-32(12-13-33(18)25(34)10-14-35-3)28-24(15-29)19(2)26(27(31-28)20-7-8-20)23-6-4-5-21-16-30-11-9-22(21)23/h4-6,9,11,16,18,20H,7-8,10,12-14,17H2,1-3H3/t18-/m1/s1
InChIKeyILFOQYYUNIOFPL-GOSISDBHSA-N
MW469.59 g/mol
LogP4.43
Rot. Bonds6

About 6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile

6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile (PubChem CID 90301779) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile
PubChem CID90301779
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c(-c3cccc4cnccc34)c(C)c2C#N)C[C@H]1C
InChIInChI=1S/C28H31N5O2/c1-18-17-32(12-13-33(18)25(34)10-14-35-3)28-24(15-29)19(2)26(27(31-28)20-7-8-20)23-6-4-5-21-16-30-11-9-22(21)23/h4-6,9,11,16,18,20H,7-8,10,12-14,17H2,1-3H3/t18-/m1/s1
InChIKeyILFOQYYUNIOFPL-GOSISDBHSA-N
XLogP4.43
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-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

Related Compounds

6-cyclopropyl-5-(6-fluoro-3-pyridinyl)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile
CID 90305570
6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-5-(3-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 71119229
6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 90301761
6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-(3-methylisoquinolin-5-yl)pyridine-3-carbonitrile
CID 71119175
N-[[4-[5-cyano-2-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide
CID 71119184
1-[(2R)-4-(3-amino-6-cyclopropyl-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 71136839
6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 89288182
6-cyclopropyl-5-(4-fluorophenyl)-4-(methoxymethyl)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 71118923
5-bromo-6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile;1-methoxy-3,3-dimethylbutane
CID 157310948
6-cyclopropyl-5-(1-methoxyisoquinolin-5-yl)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 71119399
6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-quinolin-5-ylpyridine-3-carbonitrile
CID 90301665
1-[4-(3-amino-6-cyclopropyl-5-isoquinolin-5-yl-2-pyridinyl)-2-(trifluoromethyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 71137159

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile (CID 90301779) is 6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile is COCCC(=O)N1CCN(c2nc(C3CC3)c(-c3cccc4cnccc34)c(C)c2C#N)C[C@H]1C.
What is the InChIKey of 6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile?
The InChIKey is ILFOQYYUNIOFPL-GOSISDBHSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-18-17-32(12-13-33(18)25(34)10-14-35-3)28-24(15-29)19(2)26(27(31-28)20-7-8-20)23-6-4-5-21-16-30-11-9-22(21)23/h4-6,9,11,16,18,20H,7-8,10,12-14,17H2,1-3H3/t18-/m1/s1.
What are the key properties of 6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile?
6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile has a molecular weight of 469.59 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile is sourced from PubChem (CID 90301779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).