6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

C30H37N5O2 — CID 129166713

IUPAC6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1Cc2c(C#N)c(N3CCN(C(=O)Cn4ccc5ccccc54)[C@H](C(C)C)C3)nc(C(C)C)c2CO1
InChIInChI=1S/C30H37N5O2/c1-19(2)27-16-34(12-13-35(27)28(36)17-33-11-10-22-8-6-7-9-26(22)33)30-24(15-31)23-14-21(5)37-18-25(23)29(32-30)20(3)4/h6-11,19-21,27H,12-14,16-18H2,1-5H3/t21?,27-/m0/s1
InChIKeyFUJBVWKAPKDDSY-YQAGWJQESA-N
MW499.66 g/mol
LogP4.87
Rot. Bonds5

About 6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 129166713) has the molecular formula C30H37N5O2 and a molecular weight of 499.66 g/mol. Its IUPAC name is 6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID129166713
Molecular FormulaC30H37N5O2
Molecular Weight499.66 g/mol
Exact Mass499.29
IUPAC Name6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC1Cc2c(C#N)c(N3CCN(C(=O)Cn4ccc5ccccc54)[C@H](C(C)C)C3)nc(C(C)C)c2CO1
InChIInChI=1S/C30H37N5O2/c1-19(2)27-16-34(12-13-35(27)28(36)17-33-11-10-22-8-6-7-9-26(22)33)30-24(15-31)23-14-21(5)37-18-25(23)29(32-30)20(3)4/h6-11,19-21,27H,12-14,16-18H2,1-5H3/t21?,27-/m0/s1
InChIKeyFUJBVWKAPKDDSY-YQAGWJQESA-N
XLogP4.87
TPSA74.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-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 6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CID 129166713) is 6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is CC1Cc2c(C#N)c(N3CCN(C(=O)Cn4ccc5ccccc54)[C@H](C(C)C)C3)nc(C(C)C)c2CO1.
What is the InChIKey of 6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is FUJBVWKAPKDDSY-YQAGWJQESA-N. The full InChI is InChI=1S/C30H37N5O2/c1-19(2)27-16-34(12-13-35(27)28(36)17-33-11-10-22-8-6-7-9-26(22)33)30-24(15-31)23-14-21(5)37-18-25(23)29(32-30)20(3)4/h6-11,19-21,27H,12-14,16-18H2,1-5H3/t21?,27-/m0/s1.
What are the key properties of 6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 499.66 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-4-(2-indol-1-ylacetyl)-3-propan-2-ylpiperazin-1-yl]-3-methyl-8-propan-2-yl-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 129166713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).