8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C24H31F3N4O3 — CID 71119408

IUPAC8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CC1CC(F)(F)F
InChIInChI=1S/C24H31F3N4O3/c1-23(2)11-17-18(12-28)22(29-21(15-4-5-15)19(17)14-34-23)30-7-8-31(20(32)6-9-33-3)16(13-30)10-24(25,26)27/h15-16H,4-11,13-14H2,1-3H3
InChIKeyOHGYWQSRPGEVDQ-UHFFFAOYSA-N
MW480.53 g/mol
LogP3.69
Rot. Bonds6

About 8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 71119408) has the molecular formula C24H31F3N4O3 and a molecular weight of 480.53 g/mol. Its IUPAC name is 8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID71119408
Molecular FormulaC24H31F3N4O3
Molecular Weight480.53 g/mol
Exact Mass480.23
IUPAC Name8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CC1CC(F)(F)F
InChIInChI=1S/C24H31F3N4O3/c1-23(2)11-17-18(12-28)22(29-21(15-4-5-15)19(17)14-34-23)30-7-8-31(20(32)6-9-33-3)16(13-30)10-24(25,26)27/h15-16H,4-11,13-14H2,1-3H3
InChIKeyOHGYWQSRPGEVDQ-UHFFFAOYSA-N
XLogP3.69
TPSA78.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 71119408) is 8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is COCCC(=O)N1CCN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CC1CC(F)(F)F.
What is the InChIKey of 8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is OHGYWQSRPGEVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N4O3/c1-23(2)11-17-18(12-28)22(29-21(15-4-5-15)19(17)14-34-23)30-7-8-31(20(32)6-9-33-3)16(13-30)10-24(25,26)27/h15-16H,4-11,13-14H2,1-3H3.
What are the key properties of 8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 480.53 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 71119408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).