2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile

C25H26N4O2 — CID 90301700

IUPAC2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1cc(-c2ccccc2)c(C#N)c(N2CCN(C(=O)c3ccoc3)[C@@H](C)C2)n1
InChIInChI=1S/C25H26N4O2/c1-17(2)23-13-21(19-7-5-4-6-8-19)22(14-26)24(27-23)28-10-11-29(18(3)15-28)25(30)20-9-12-31-16-20/h4-9,12-13,16-18H,10-11,15H2,1-3H3/t18-/m0/s1
InChIKeyHPSMPMXWQSKVNB-SFHVURJKSA-N
MW414.51 g/mol
LogP4.69
Rot. Bonds4

About 2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile

2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 90301700) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile
PubChem CID90301700
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1cc(-c2ccccc2)c(C#N)c(N2CCN(C(=O)c3ccoc3)[C@@H](C)C2)n1
InChIInChI=1S/C25H26N4O2/c1-17(2)23-13-21(19-7-5-4-6-8-19)22(14-26)24(27-23)28-10-11-29(18(3)15-28)25(30)20-9-12-31-16-20/h4-9,12-13,16-18H,10-11,15H2,1-3H3/t18-/m0/s1
InChIKeyHPSMPMXWQSKVNB-SFHVURJKSA-N
XLogP4.69
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-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

2-[(3R)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile
CID 71119127
2-[4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-(2-hydroxyphenyl)-6-propan-2-ylpyridine-3-carbonitrile
CID 136620713
2-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-6-propan-2-yl-5-(4-propan-2-ylphenyl)pyridine-3-carbonitrile
CID 90301692
2-[3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-5-(3-methylphenyl)-6-propan-2-ylpyridine-3-carbonitrile
CID 71118558
3,3-dimethyl-6-[3-methyl-4-(thiophene-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 71119608
6-[3-methyl-4-(5-methyl-1,2-oxazole-4-carbonyl)piperazin-1-yl]-8-phenyl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 90282780
3,3-dimethyl-6-[(3R)-3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-1-yl]-8-propan-2-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 90282908
8-cyclopropyl-6-[(3R)-3-ethyl-4-(furan-3-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 90295100
[4-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperazin-1-yl]-(furan-3-yl)methanone
CID 75374053
8-cyclopropyl-6-[(3S)-4-(furan-3-carbonyl)-3-phenylpiperazin-1-yl]-3,3-dimethyl-1,4-dihydroisochromene-5-carbonitrile
CID 90283051
[(2S)-2-methyl-4-(1-phenylpyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl]-phenylmethanone
CID 25195455
5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 71119143

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile (CID 90301700) is 2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile is CC(C)c1cc(-c2ccccc2)c(C#N)c(N2CCN(C(=O)c3ccoc3)[C@@H](C)C2)n1.
What is the InChIKey of 2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is HPSMPMXWQSKVNB-SFHVURJKSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-17(2)23-13-21(19-7-5-4-6-8-19)22(14-26)24(27-23)28-10-11-29(18(3)15-28)25(30)20-9-12-31-16-20/h4-9,12-13,16-18H,10-11,15H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile?
2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 414.51 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-(furan-3-carbonyl)-3-methylpiperazin-1-yl]-4-phenyl-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 90301700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).