(3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one

C22H21N9O2 — CID 170326652

IUPAC(3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one
SMILESCc1ncccc1Nc1nccc(-c2cccc(-n3cc([C@]4(O)CCN(C)C4=O)nn3)n2)n1
InChIInChI=1S/C22H21N9O2/c1-14-15(6-4-10-23-14)26-21-24-11-8-17(27-21)16-5-3-7-19(25-16)31-13-18(28-29-31)22(33)9-12-30(2)20(22)32/h3-8,10-11,13,33H,9,12H2,1-2H3,(H,24,26,27)/t22-/m1/s1
InChIKeyZFHGZVBCNRUCSR-JOCHJYFZSA-N
MW443.47 g/mol
LogP1.62
Rot. Bonds5

About (3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one

(3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one (PubChem CID 170326652) has the molecular formula C22H21N9O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is (3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one
PubChem CID170326652
Molecular FormulaC22H21N9O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name(3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one
SMILESCc1ncccc1Nc1nccc(-c2cccc(-n3cc([C@]4(O)CCN(C)C4=O)nn3)n2)n1
InChIInChI=1S/C22H21N9O2/c1-14-15(6-4-10-23-14)26-21-24-11-8-17(27-21)16-5-3-7-19(25-16)31-13-18(28-29-31)22(33)9-12-30(2)20(22)32/h3-8,10-11,13,33H,9,12H2,1-2H3,(H,24,26,27)/t22-/m1/s1
InChIKeyZFHGZVBCNRUCSR-JOCHJYFZSA-N
XLogP1.62
TPSA134.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze (3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one
CID 170326312
3-hydroxy-1-methyl-3-[1-[6-[2-[[(1R)-1-(1-methylpyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one
CID 170326320
(3S)-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one
CID 170379916
(3R)-3-[1-[6-(2-chloro-6-deuteriopyrimidin-4-yl)-2-pyridinyl]triazol-4-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170573659
(3R)-3-[5-[6-[2-[(5-chloro-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170573518
3-[3-[6-[2-[[1-(difluoromethyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326990
3-hydroxy-3-[3-[6-[2-[[1-(2-hydroxy-2-methylpropyl)-3-methylpyrazol-4-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170377324
3-hydroxy-1-methyl-3-[1-methyl-5-[6-[2-[(1-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]pyrazol-3-yl]pyrrolidin-2-one
CID 170326593
3-[5-[6-[2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-3-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170326541
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[(5-methyl-1,2,4-triazin-3-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170385783
(3R)-3-[3-[6-[2-[(1-ethyl-5-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170380295
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(2-methyl-3-pyridinyl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573842

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one (CID 170326652) is (3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one is Cc1ncccc1Nc1nccc(-c2cccc(-n3cc([C@]4(O)CCN(C)C4=O)nn3)n2)n1.
What is the InChIKey of (3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one?
The InChIKey is ZFHGZVBCNRUCSR-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H21N9O2/c1-14-15(6-4-10-23-14)26-21-24-11-8-17(27-21)16-5-3-7-19(25-16)31-13-18(28-29-31)22(33)9-12-30(2)20(22)32/h3-8,10-11,13,33H,9,12H2,1-2H3,(H,24,26,27)/t22-/m1/s1.
What are the key properties of (3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one?
(3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one has a molecular weight of 443.47 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-1-methyl-3-[1-[6-[2-[(2-methyl-3-pyridinyl)amino]pyrimidin-4-yl]-2-pyridinyl]triazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 170326652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).