1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one

C19H20ClF3N6O — CID 171626848

IUPAC1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cncc(Nc2ncc(Cl)c(N3CCCC(C(F)(F)F)C3)n2)c1
InChIInChI=1S/C19H20ClF3N6O/c20-15-10-25-18(27-17(15)28-5-1-3-12(11-28)19(21,22)23)26-13-7-14(9-24-8-13)29-6-2-4-16(29)30/h7-10,12H,1-6,11H2,(H,25,26,27)
InChIKeyXMIGUFBXUHXONZ-UHFFFAOYSA-N
MW440.86 g/mol
LogP4.17
Rot. Bonds4

About 1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one

1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one (PubChem CID 171626848) has the molecular formula C19H20ClF3N6O and a molecular weight of 440.86 g/mol. Its IUPAC name is 1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
PubChem CID171626848
Molecular FormulaC19H20ClF3N6O
Molecular Weight440.86 g/mol
Exact Mass440.13
IUPAC Name1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cncc(Nc2ncc(Cl)c(N3CCCC(C(F)(F)F)C3)n2)c1
InChIInChI=1S/C19H20ClF3N6O/c20-15-10-25-18(27-17(15)28-5-1-3-12(11-28)19(21,22)23)26-13-7-14(9-24-8-13)29-6-2-4-16(29)30/h7-10,12H,1-6,11H2,(H,25,26,27)
InChIKeyXMIGUFBXUHXONZ-UHFFFAOYSA-N
XLogP4.17
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.86
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[[5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171627124
N-butyl-1-[5-chloro-2-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidine-3-carboxamide
CID 171627358
1-[5-[[5-chloro-4-(4-cyclopropylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171626958
1-[5-[[5-chloro-4-(1-cyclopentylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171627453
1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane
CID 171626942
1-[5-[[5-chloro-4-(3-chlorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171627031
(5S)-1-[5-chloro-6-[3-[(2R)-1-[5-chloro-2-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-5-oxopyrrolidin-2-yl]phenyl]-2-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-5-phenylpyrrolidin-2-one
CID 171627476
1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171626914
1-[5-[[5-chloro-4-(4-methyl-3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171627154
tert-butyl 4-[5-chloro-2-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 171627474
1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;methylideneniobium
CID 171626913
N-(5-bromo-3-pyridinyl)-5-chloro-4-piperidin-1-ylpyrimidin-2-amine
CID 171627312

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one (CID 171626848) is 1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one is O=C1CCCN1c1cncc(Nc2ncc(Cl)c(N3CCCC(C(F)(F)F)C3)n2)c1.
What is the InChIKey of 1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one?
The InChIKey is XMIGUFBXUHXONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClF3N6O/c20-15-10-25-18(27-17(15)28-5-1-3-12(11-28)19(21,22)23)26-13-7-14(9-24-8-13)29-6-2-4-16(29)30/h7-10,12H,1-6,11H2,(H,25,26,27).
What are the key properties of 1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one?
1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one has a molecular weight of 440.86 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 171626848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).