1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one

C20H26F3N5O — CID 126891006

IUPAC1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one
SMILESO=C1C(N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)CCN1C1CC1
InChIInChI=1S/C20H26F3N5O/c21-20(22,23)17-11-18(25-12-24-17)28(14-3-4-14)15-5-8-26(9-6-15)16-7-10-27(19(16)29)13-1-2-13/h11-16H,1-10H2
InChIKeyMXZGTCRXYMSKOX-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.69
Rot. Bonds5

About 1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one

1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one (PubChem CID 126891006) has the molecular formula C20H26F3N5O and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one
PubChem CID126891006
Molecular FormulaC20H26F3N5O
Molecular Weight409.46 g/mol
Exact Mass409.21
IUPAC Name1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one
SMILESO=C1C(N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)CCN1C1CC1
InChIInChI=1S/C20H26F3N5O/c21-20(22,23)17-11-18(25-12-24-17)28(14-3-4-14)15-5-8-26(9-6-15)16-7-10-27(19(16)29)13-1-2-13/h11-16H,1-10H2
InChIKeyMXZGTCRXYMSKOX-UHFFFAOYSA-N
XLogP2.69
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one (CID 126891006) is 1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one is O=C1C(N2CCC(N(c3cc(C(F)(F)F)ncn3)C3CC3)CC2)CCN1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is MXZGTCRXYMSKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5O/c21-20(22,23)17-11-18(25-12-24-17)28(14-3-4-14)15-5-8-26(9-6-15)16-7-10-27(19(16)29)13-1-2-13/h11-16H,1-10H2.
What are the key properties of 1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one?
1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 409.46 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 126891006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).