8-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C24H29N5O3 — CID 71477438

IUPAC8-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC[C@@H]1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)c1cocn1
InChIInChI=1S/C24H29N5O3/c1-4-16-11-28(7-8-29(16)23(30)20-13-31-14-26-20)22-18(10-25)17-9-24(2,3)32-12-19(17)21(27-22)15-5-6-15/h13-16H,4-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyHGBRRVZOJGYQIY-MRXNPFEDSA-N
MW435.53 g/mol
LogP3.41
Rot. Bonds4

About 8-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 71477438) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 8-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID71477438
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name8-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC[C@@H]1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)c1cocn1
InChIInChI=1S/C24H29N5O3/c1-4-16-11-28(7-8-29(16)23(30)20-13-31-14-26-20)22-18(10-25)17-9-24(2,3)32-12-19(17)21(27-22)15-5-6-15/h13-16H,4-9,11-12H2,1-3H3/t16-/m1/s1
InChIKeyHGBRRVZOJGYQIY-MRXNPFEDSA-N
XLogP3.41
TPSA95.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
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-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 71477438) is 8-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC[C@@H]1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)c1cocn1.
What is the InChIKey of 8-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is HGBRRVZOJGYQIY-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-4-16-11-28(7-8-29(16)23(30)20-13-31-14-26-20)22-18(10-25)17-9-24(2,3)32-12-19(17)21(27-22)15-5-6-15/h13-16H,4-9,11-12H2,1-3H3/t16-/m1/s1.
What are the key properties of 8-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 435.53 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-[(3R)-3-ethyl-4-(1,3-oxazole-4-carbonyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 71477438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).