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

C24H34N4O3 — CID 90283286

IUPAC8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCC1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)CCOC
InChIInChI=1S/C24H34N4O3/c1-5-17-14-27(9-10-28(17)21(29)8-11-30-4)23-19(13-25)18-12-24(2,3)31-15-20(18)22(26-23)16-6-7-16/h16-17H,5-12,14-15H2,1-4H3
InChIKeyFAPJZSFBNCOPCN-UHFFFAOYSA-N
MW426.56 g/mol
LogP3.15
Rot. Bonds6

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

8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 90283286) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID90283286
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCCC1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)CCOC
InChIInChI=1S/C24H34N4O3/c1-5-17-14-27(9-10-28(17)21(29)8-11-30-4)23-19(13-25)18-12-24(2,3)31-15-20(18)22(26-23)16-6-7-16/h16-17H,5-12,14-15H2,1-4H3
InChIKeyFAPJZSFBNCOPCN-UHFFFAOYSA-N
XLogP3.15
TPSA78.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 90283286) is 8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CCC1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)CCOC.
What is the InChIKey of 8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is FAPJZSFBNCOPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-5-17-14-27(9-10-28(17)21(29)8-11-30-4)23-19(13-25)18-12-24(2,3)31-15-20(18)22(26-23)16-6-7-16/h16-17H,5-12,14-15H2,1-4H3.
What are the key properties of 8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 426.56 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-[3-ethyl-4-(3-methoxypropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 90283286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).