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

C24H31F3N4O2 — CID 138404119

IUPAC8-cyclopropyl-3,3-dimethyl-6-[(3S)-3-propan-2-yl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)[C@H]1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)CC(F)(F)F
InChIInChI=1S/C24H31F3N4O2/c1-14(2)19-12-30(7-8-31(19)20(32)10-24(25,26)27)22-17(11-28)16-9-23(3,4)33-13-18(16)21(29-22)15-5-6-15/h14-15,19H,5-10,12-13H2,1-4H3/t19-/m1/s1
InChIKeyKZPZXNCKRBSHGT-LJQANCHMSA-N
MW464.53 g/mol
LogP4.31
Rot. Bonds4

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

8-cyclopropyl-3,3-dimethyl-6-[(3S)-3-propan-2-yl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 138404119) has the molecular formula C24H31F3N4O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is 8-cyclopropyl-3,3-dimethyl-6-[(3S)-3-propan-2-yl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name8-cyclopropyl-3,3-dimethyl-6-[(3S)-3-propan-2-yl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID138404119
Molecular FormulaC24H31F3N4O2
Molecular Weight464.53 g/mol
Exact Mass464.24
IUPAC Name8-cyclopropyl-3,3-dimethyl-6-[(3S)-3-propan-2-yl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCC(C)[C@H]1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)CC(F)(F)F
InChIInChI=1S/C24H31F3N4O2/c1-14(2)19-12-30(7-8-31(19)20(32)10-24(25,26)27)22-17(11-28)16-9-23(3,4)33-13-18(16)21(29-22)15-5-6-15/h14-15,19H,5-10,12-13H2,1-4H3/t19-/m1/s1
InChIKeyKZPZXNCKRBSHGT-LJQANCHMSA-N
XLogP4.31
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-cyclopropyl-3,3-dimethyl-6-[(3S)-3-propan-2-yl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[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-cyclopropyl-3,3-dimethyl-6-[(3S)-3-propan-2-yl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 8-cyclopropyl-3,3-dimethyl-6-[(3S)-3-propan-2-yl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 138404119) is 8-cyclopropyl-3,3-dimethyl-6-[(3S)-3-propan-2-yl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 8-cyclopropyl-3,3-dimethyl-6-[(3S)-3-propan-2-yl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 8-cyclopropyl-3,3-dimethyl-6-[(3S)-3-propan-2-yl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC(C)[C@H]1CN(c2nc(C3CC3)c3c(c2C#N)CC(C)(C)OC3)CCN1C(=O)CC(F)(F)F.
What is the InChIKey of 8-cyclopropyl-3,3-dimethyl-6-[(3S)-3-propan-2-yl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is KZPZXNCKRBSHGT-LJQANCHMSA-N. The full InChI is InChI=1S/C24H31F3N4O2/c1-14(2)19-12-30(7-8-31(19)20(32)10-24(25,26)27)22-17(11-28)16-9-23(3,4)33-13-18(16)21(29-22)15-5-6-15/h14-15,19H,5-10,12-13H2,1-4H3/t19-/m1/s1.
What are the key properties of 8-cyclopropyl-3,3-dimethyl-6-[(3S)-3-propan-2-yl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
8-cyclopropyl-3,3-dimethyl-6-[(3S)-3-propan-2-yl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 464.53 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-3,3-dimethyl-6-[(3S)-3-propan-2-yl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 138404119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).