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

C19H26F3N5O — CID 126890996

IUPAC1-[2-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1CCC(N(c2cc(C(F)(F)F)ncn2)C2CC2)CC1
InChIInChI=1S/C19H26F3N5O/c20-19(21,22)16-12-17(24-13-23-16)27(14-3-4-14)15-5-8-25(9-6-15)10-11-26-7-1-2-18(26)28/h12-15H,1-11H2
InChIKeyMSVTYVDULLYPAG-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.55
Rot. Bonds6

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

1-[2-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 126890996) has the molecular formula C19H26F3N5O and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-[2-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID126890996
Molecular FormulaC19H26F3N5O
Molecular Weight397.45 g/mol
Exact Mass397.21
IUPAC Name1-[2-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1CCC(N(c2cc(C(F)(F)F)ncn2)C2CC2)CC1
InChIInChI=1S/C19H26F3N5O/c20-19(21,22)16-12-17(24-13-23-16)27(14-3-4-14)15-5-8-25(9-6-15)10-11-26-7-1-2-18(26)28/h12-15H,1-11H2
InChIKeyMSVTYVDULLYPAG-UHFFFAOYSA-N
XLogP2.55
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one (CID 126890996) is 1-[2-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCN1CCC(N(c2cc(C(F)(F)F)ncn2)C2CC2)CC1.
What is the InChIKey of 1-[2-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is MSVTYVDULLYPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N5O/c20-19(21,22)16-12-17(24-13-23-16)27(14-3-4-14)15-5-8-25(9-6-15)10-11-26-7-1-2-18(26)28/h12-15H,1-11H2.
What are the key properties of 1-[2-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 397.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[cyclopropyl-[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 126890996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).