(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one

C17H20N6O — CID 128969536

IUPAC(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](NCc2cnn3ccccc23)[C@@H]1c1ccnn1C
InChIInChI=1S/C17H20N6O/c1-21-16(24)9-13(17(21)15-6-7-19-22(15)2)18-10-12-11-20-23-8-4-3-5-14(12)23/h3-8,11,13,17-18H,9-10H2,1-2H3/t13-,17-/m1/s1
InChIKeySVGOHISQLMOVBU-CXAGYDPISA-N
MW324.39 g/mol
LogP1.13
Rot. Bonds4

About (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one

(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one (PubChem CID 128969536) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one
PubChem CID128969536
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one
SMILESCN1C(=O)C[C@@H](NCc2cnn3ccccc23)[C@@H]1c1ccnn1C
InChIInChI=1S/C17H20N6O/c1-21-16(24)9-13(17(21)15-6-7-19-22(15)2)18-10-12-11-20-23-8-4-3-5-14(12)23/h3-8,11,13,17-18H,9-10H2,1-2H3/t13-,17-/m1/s1
InChIKeySVGOHISQLMOVBU-CXAGYDPISA-N
XLogP1.13
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)cyclopropan-1-amine
CID 63315311
(4R,5R)-4-[(5-chloropyrimidin-2-yl)amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128980646
1,3-dimethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 115615373
(4R,5R)-4-(1,3-benzoxazol-2-ylamino)-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128980664
(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-[(3-methylquinoxalin-2-yl)amino]pyrrolidin-2-one
CID 128971132
(5S,6S)-5-[(4-chlorophenyl)methylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 146133545
(5R,6R)-5-[(5-chloro-1-methylimidazol-2-yl)methylamino]-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128976840
(4R,5R)-4-[[(2S)-1-methoxy-3-phenylpropan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 129483915
(4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128987637
(4R,5R)-4-[1-(3-chlorophenyl)propan-2-ylamino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128976953
(4R,5R)-1-cyclopropyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128987605

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one (CID 128969536) is (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one is CN1C(=O)C[C@@H](NCc2cnn3ccccc23)[C@@H]1c1ccnn1C.
What is the InChIKey of (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one?
The InChIKey is SVGOHISQLMOVBU-CXAGYDPISA-N. The full InChI is InChI=1S/C17H20N6O/c1-21-16(24)9-13(17(21)15-6-7-19-22(15)2)18-10-12-11-20-23-8-4-3-5-14(12)23/h3-8,11,13,17-18H,9-10H2,1-2H3/t13-,17-/m1/s1.
What are the key properties of (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one?
(4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one has a molecular weight of 324.39 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-methyl-5-(2-methylpyrazol-3-yl)-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 128969536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).