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

C21H24ClN7O — CID 171626914

IUPAC1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
SMILESCCC(CC)n1cc(-c2nc(Nc3cncc(N4CCCC4=O)c3)ncc2Cl)cn1
InChIInChI=1S/C21H24ClN7O/c1-3-16(4-2)29-13-14(9-25-29)20-18(22)12-24-21(27-20)26-15-8-17(11-23-10-15)28-7-5-6-19(28)30/h8-13,16H,3-7H2,1-2H3,(H,24,26,27)
InChIKeyAVIDBDLEFOXULS-UHFFFAOYSA-N
MW425.92 g/mol
LogP4.62
Rot. Bonds7

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

1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one (PubChem CID 171626914) has the molecular formula C21H24ClN7O and a molecular weight of 425.92 g/mol. Its IUPAC name is 1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
PubChem CID171626914
Molecular FormulaC21H24ClN7O
Molecular Weight425.92 g/mol
Exact Mass425.17
IUPAC Name1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
SMILESCCC(CC)n1cc(-c2nc(Nc3cncc(N4CCCC4=O)c3)ncc2Cl)cn1
InChIInChI=1S/C21H24ClN7O/c1-3-16(4-2)29-13-14(9-25-29)20-18(22)12-24-21(27-20)26-15-8-17(11-23-10-15)28-7-5-6-19(28)30/h8-13,16H,3-7H2,1-2H3,(H,24,26,27)
InChIKeyAVIDBDLEFOXULS-UHFFFAOYSA-N
XLogP4.62
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;methylideneniobium
CID 171626913
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-(3-chlorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171627031
1-[5-[[5-chloro-4-(4-cyclopropylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171626958
1-[5-[[5-chloro-4-(4-methyl-3-phenylphenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171627154
1-[5-[[5-chloro-4-(2,4-difluorophenyl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one;ethane
CID 171626942
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-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171627124
1-[5-[[5-chloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one
CID 171626848
N-butyl-1-[5-chloro-2-[[5-(2-oxopyrrolidin-1-yl)-3-pyridinyl]amino]pyrimidin-4-yl]piperidine-3-carboxamide
CID 171627358
(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
acetaldehyde;tert-butyl 2-[5-[[5-chloro-4-[1-(1-methylpiperidin-3-yl)pyrazol-4-yl]pyrimidin-2-yl]amino]-3-pyridinyl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 171626949

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one?
The IUPAC name of 1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one (CID 171626914) is 1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one?
The canonical SMILES for 1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one is CCC(CC)n1cc(-c2nc(Nc3cncc(N4CCCC4=O)c3)ncc2Cl)cn1.
What is the InChIKey of 1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one?
The InChIKey is AVIDBDLEFOXULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN7O/c1-3-16(4-2)29-13-14(9-25-29)20-18(22)12-24-21(27-20)26-15-8-17(11-23-10-15)28-7-5-6-19(28)30/h8-13,16H,3-7H2,1-2H3,(H,24,26,27).
What are the key properties of 1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one?
1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one has a molecular weight of 425.92 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[5-chloro-4-(1-pentan-3-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-pyridinyl]pyrrolidin-2-one is sourced from PubChem (CID 171626914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).