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

C25H31N5O3 — CID 90282789

IUPAC8-cyclohexyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1ncoc1C(=O)N1CCN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)C[C@H]1C
InChIInChI=1S/C25H31N5O3/c1-16-13-29(9-10-30(16)25(31)23-17(2)27-15-33-23)24-20(12-26)19-8-11-32-14-21(19)22(28-24)18-6-4-3-5-7-18/h15-16,18H,3-11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyLPNREDPVBDNOHD-MRXNPFEDSA-N
MW449.56 g/mol
LogP3.72
Rot. Bonds3

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

8-cyclohexyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 90282789) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 8-cyclohexyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-cyclohexyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID90282789
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name8-cyclohexyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCc1ncoc1C(=O)N1CCN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)C[C@H]1C
InChIInChI=1S/C25H31N5O3/c1-16-13-29(9-10-30(16)25(31)23-17(2)27-15-33-23)24-20(12-26)19-8-11-32-14-21(19)22(28-24)18-6-4-3-5-7-18/h15-16,18H,3-11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyLPNREDPVBDNOHD-MRXNPFEDSA-N
XLogP3.72
TPSA95.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-cyclohexyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-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-cyclohexyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-cyclohexyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CID 90282789) is 8-cyclohexyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-cyclohexyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-cyclohexyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is Cc1ncoc1C(=O)N1CCN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)C[C@H]1C.
What is the InChIKey of 8-cyclohexyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is LPNREDPVBDNOHD-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-16-13-29(9-10-30(16)25(31)23-17(2)27-15-33-23)24-20(12-26)19-8-11-32-14-21(19)22(28-24)18-6-4-3-5-7-18/h15-16,18H,3-11,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 8-cyclohexyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
8-cyclohexyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 449.56 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclohexyl-6-[(3R)-3-methyl-4-(4-methyl-1,3-oxazole-5-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 90282789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).