(4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one

C18H22ClN5O — CID 128984259

IUPAC(4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCc1nn(C)c(Cl)c1CN[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1
InChIInChI=1S/C18H22ClN5O/c1-11-14(18(19)23(2)22-11)10-21-15-8-16(25)24(13-5-6-13)17(15)12-4-3-7-20-9-12/h3-4,7,9,13,15,17,21H,5-6,8,10H2,1-2H3/t15-,17+/m1/s1
InChIKeyPIEJZPKSEDVCDP-WBVHZDCISA-N
MW359.86 g/mol
LogP2.37
Rot. Bonds5

About (4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one

(4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 128984259) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is (4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID128984259
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC Name(4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCc1nn(C)c(Cl)c1CN[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1
InChIInChI=1S/C18H22ClN5O/c1-11-14(18(19)23(2)22-11)10-21-15-8-16(25)24(13-5-6-13)17(15)12-4-3-7-20-9-12/h3-4,7,9,13,15,17,21H,5-6,8,10H2,1-2H3/t15-,17+/m1/s1
InChIKeyPIEJZPKSEDVCDP-WBVHZDCISA-N
XLogP2.37
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one
CID 128976731
(4R,5S)-1-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one
CID 128987657
(4R,5S)-1-methyl-4-(1H-pyrazol-5-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one
CID 167932575
(4R,5R)-1-cyclopropyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128987605
(4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one
CID 138018770
(4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one
CID 94933876
(4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128987637
(4R,5R)-5-(4-chlorophenyl)-1-methyl-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 97158629
(2S,3R)-4-cyclopropyl-5-oxo-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridin-3-ylmorpholine-2-carboxamide;formic acid
CID 163341011
(4R,5S)-4-(1H-indol-4-ylmethylamino)-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
CID 128976829
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 129007209
(4R,5S)-1-methyl-4-[(1-methylbenzimidazol-5-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one
CID 128976826

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one (CID 128984259) is (4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one is Cc1nn(C)c(Cl)c1CN[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccnc1.
What is the InChIKey of (4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is PIEJZPKSEDVCDP-WBVHZDCISA-N. The full InChI is InChI=1S/C18H22ClN5O/c1-11-14(18(19)23(2)22-11)10-21-15-8-16(25)24(13-5-6-13)17(15)12-4-3-7-20-9-12/h3-4,7,9,13,15,17,21H,5-6,8,10H2,1-2H3/t15-,17+/m1/s1.
What are the key properties of (4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one?
(4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 359.86 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 128984259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).