(4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C45H54N12O6S — CID 159933653

IUPAC(4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(N3CCN(S(C)(=O)=O)CC3)cn2)cn2nccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc(N3CCNCC3)cn2)cn2nccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H28N6O4S.C22H26N6O2/c1-16(17-12-23(30)25-13-17)33-22-11-18(15-29-21(22)5-6-26-29)20-4-3-19(14-24-20)27-7-9-28(10-8-27)34(2,31)32;1-15(16-11-22(29)25-12-16)30-21-10-17(14-28-20(21)4-5-26-28)19-3-2-18(13-24-19)27-8-6-23-7-9-27/h3-6,11,14-17H,7-10,12-13H2,1-2H3,(H,25,30);2-5,10,13-16,23H,6-9,11-12H2,1H3,(H,25,29)/t16-,17-;15-,16-/m11/s1
InChIKeyNZYPMPAGSCTRPN-UYYYURFASA-N
MW891.07 g/mol
LogP3.09
Rot. Bonds11

About (4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 159933653) has the molecular formula C45H54N12O6S and a molecular weight of 891.07 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID159933653
Molecular FormulaC45H54N12O6S
Molecular Weight891.07 g/mol
Exact Mass890.40
IUPAC Name(4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc(-c2ccc(N3CCN(S(C)(=O)=O)CC3)cn2)cn2nccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc(N3CCNCC3)cn2)cn2nccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C23H28N6O4S.C22H26N6O2/c1-16(17-12-23(30)25-13-17)33-22-11-18(15-29-21(22)5-6-26-29)20-4-3-19(14-24-20)27-7-9-28(10-8-27)34(2,31)32;1-15(16-11-22(29)25-12-16)30-21-10-17(14-28-20(21)4-5-26-28)19-3-2-18(13-24-19)27-8-6-23-7-9-27/h3-6,11,14-17H,7-10,12-13H2,1-2H3,(H,25,30);2-5,10,13-16,23H,6-9,11-12H2,1H3,(H,25,29)/t16-,17-;15-,16-/m11/s1
InChIKeyNZYPMPAGSCTRPN-UYYYURFASA-N
XLogP3.09
TPSA192.93 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500891.07
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze (4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Related Compounds

6-(5-aminopyridin-3-yl)-N-[3-[5-[[4-[[6-[5-(methylamino)pyridin-3-yl]pyridine-2-carbonyl]amino]-3-pyridin-2-ylpyrazol-1-yl]methyl]pyridin-2-yl]-1-[[6-[1-methyl-4-[[6-[5-(2,2,2-trifluoroethoxy)pyridin-3-yl]pyridine-2-carbonyl]amino]pyrazol-3-yl]pyridin-2-yl]methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 134453065
2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ylium-6-one;2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl] trifluoromethanesulfonate
CID 157336202
4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine;methane
CID 158063741
2-(5-amino-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(2,2-difluoroethyl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;N,N-dimethyl-1-[5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide;N-ethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-(6-fluoro-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(2-methylpropyl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;N-propyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide
CID 158464865
4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;3-tert-butyl-5-(oxetan-3-ylmethyl)pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridine;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 158571252
N-(2,2-difluoroethyl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;N,N-dimethyl-1-[5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]-3-pyridinyl]methanesulfonamide;N-ethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-(6-fluoro-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(2-methylpropyl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;N-propyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide
CID 158594973
2,3,4,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-6-one;2-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrrolo[1,2-b]pyridazin-4-yl] trifluoromethanesulfonate
CID 159885954
4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;3-tert-butyl-5-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridine;4-tert-butyl-2-(oxolan-3-ylmethyl)pyridine;1-[4-[(5-tert-butyl-3-pyridinyl)amino]piperidin-1-yl]ethanone;1-[4-[(5-tert-butyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone;3-tert-butyl-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine
CID 161181447
(7S)-2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-7-methoxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[4-[2-(5-ethoxy-3-pyridinyl)-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-6-yl]pyrazol-1-yl]acetonitrile;2-(6-ethyl-5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;N-prop-2-enyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide
CID 161229816
N-(1-methyl-3-pyrazin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(2-oxo-1H-pyridin-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(6-oxo-1H-pyridin-3-yl)pyridine-2-carboxamide
CID 162009179
(4R)-4-[(1R)-1-[6-(5,6-dimethyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842803
4-[(1R)-1-[6-(5,6-dimethyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842804

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 159933653) is (4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc(-c2ccc(N3CCN(S(C)(=O)=O)CC3)cn2)cn2nccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc(N3CCNCC3)cn2)cn2nccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is NZYPMPAGSCTRPN-UYYYURFASA-N. The full InChI is InChI=1S/C23H28N6O4S.C22H26N6O2/c1-16(17-12-23(30)25-13-17)33-22-11-18(15-29-21(22)5-6-26-29)20-4-3-19(14-24-20)27-7-9-28(10-8-27)34(2,31)32;1-15(16-11-22(29)25-12-16)30-21-10-17(14-28-20(21)4-5-26-28)19-3-2-18(13-24-19)27-8-6-23-7-9-27/h3-6,11,14-17H,7-10,12-13H2,1-2H3,(H,25,30);2-5,10,13-16,23H,6-9,11-12H2,1H3,(H,25,29)/t16-,17-;15-,16-/m11/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 891.07 g/mol, XLogP of 3.09, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-[5-(4-methylsulfonylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 159933653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).