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

C24H29N5O3 — CID 71118627

IUPAC8-cyclohexyl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESC[C@@H]1CN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CCN1C(=O)c1cocn1
InChIInChI=1S/C24H29N5O3/c1-16-12-28(8-9-29(16)24(30)21-14-32-15-26-21)23-19(11-25)18-7-10-31-13-20(18)22(27-23)17-5-3-2-4-6-17/h14-17H,2-10,12-13H2,1H3/t16-/m1/s1
InChIKeyOZVGGMWTZOQVMB-MRXNPFEDSA-N
MW435.53 g/mol
LogP3.41
Rot. Bonds3

About 8-cyclohexyl-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-cyclohexyl-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 71118627) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 8-cyclohexyl-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-cyclohexyl-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 CID71118627
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name8-cyclohexyl-6-[(3R)-3-methyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESC[C@@H]1CN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CCN1C(=O)c1cocn1
InChIInChI=1S/C24H29N5O3/c1-16-12-28(8-9-29(16)24(30)21-14-32-15-26-21)23-19(11-25)18-7-10-31-13-20(18)22(27-23)17-5-3-2-4-6-17/h14-17H,2-10,12-13H2,1H3/t16-/m1/s1
InChIKeyOZVGGMWTZOQVMB-MRXNPFEDSA-N
XLogP3.41
TPSA95.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclohexyl-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-cyclohexyl-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 71118627) is 8-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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 C[C@@H]1CN(c2nc(C3CCCCC3)c3c(c2C#N)CCOC3)CCN1C(=O)c1cocn1.
What is the InChIKey of 8-cyclohexyl-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 OZVGGMWTZOQVMB-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16-12-28(8-9-29(16)24(30)21-14-32-15-26-21)23-19(11-25)18-7-10-31-13-20(18)22(27-23)17-5-3-2-4-6-17/h14-17H,2-10,12-13H2,1H3/t16-/m1/s1.
What are the key properties of 8-cyclohexyl-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-cyclohexyl-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 435.53 g/mol, XLogP of 3.41, 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-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 71118627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).