8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

C24H31N5O3 — CID 90295095

IUPAC8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCC(C)c1nc(N2CCN(C(=O)c3cocn3)[C@H](C)C2)c(C#N)c2c1COCC2
InChIInChI=1S/C24H31N5O3/c1-4-5-6-16(2)22-20-13-31-10-7-18(20)19(11-25)23(27-22)28-8-9-29(17(3)12-28)24(30)21-14-32-15-26-21/h14-17H,4-10,12-13H2,1-3H3/t16?,17-/m1/s1
InChIKeyYEOTVWHQNNLVAJ-ZYMOGRSISA-N
MW437.54 g/mol
LogP3.66
Rot. Bonds6

About 8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 90295095) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID90295095
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCCCC(C)c1nc(N2CCN(C(=O)c3cocn3)[C@H](C)C2)c(C#N)c2c1COCC2
InChIInChI=1S/C24H31N5O3/c1-4-5-6-16(2)22-20-13-31-10-7-18(20)19(11-25)23(27-22)28-8-9-29(17(3)12-28)24(30)21-14-32-15-26-21/h14-17H,4-10,12-13H2,1-3H3/t16?,17-/m1/s1
InChIKeyYEOTVWHQNNLVAJ-ZYMOGRSISA-N
XLogP3.66
TPSA95.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-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 8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CID 90295095) is 8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is CCCCC(C)c1nc(N2CCN(C(=O)c3cocn3)[C@H](C)C2)c(C#N)c2c1COCC2.
What is the InChIKey of 8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is YEOTVWHQNNLVAJ-ZYMOGRSISA-N. The full InChI is InChI=1S/C24H31N5O3/c1-4-5-6-16(2)22-20-13-31-10-7-18(20)19(11-25)23(27-22)28-8-9-29(17(3)12-28)24(30)21-14-32-15-26-21/h14-17H,4-10,12-13H2,1-3H3/t16?,17-/m1/s1.
What are the key properties of 8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 437.54 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexan-2-yl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 90295095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).