(4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C51H64N10O8S — CID 162007686

IUPAC(4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3c(C)cnn3c2)ccc1N1CCN(S(C)(=O)=O)CC1.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3c(C)cnn3c2)ccc1N1CCNCC1
InChIInChI=1S/C26H33N5O5S.C25H31N5O3/c1-17-14-28-31-16-21(12-24(26(17)31)36-18(2)20-13-25(32)27-15-20)19-5-6-22(23(11-19)35-3)29-7-9-30(10-8-29)37(4,33)34;1-16-13-28-30-15-20(11-23(25(16)30)33-17(2)19-12-24(31)27-14-19)18-4-5-21(22(10-18)32-3)29-8-6-26-7-9-29/h5-6,11-12,14,16,18,20H,7-10,13,15H2,1-4H3,(H,27,32);4-5,10-11,13,15,17,19,26H,6-9,12,14H2,1-3H3,(H,27,31)/t18-,20-;17-,19-/m11/s1
InChIKeyYTBBENKWACQAJD-HVCNFISISA-N
MW977.20 g/mol
LogP4.93
Rot. Bonds13

About (4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 162007686) has the molecular formula C51H64N10O8S and a molecular weight of 977.20 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID162007686
Molecular FormulaC51H64N10O8S
Molecular Weight977.20 g/mol
Exact Mass976.46
IUPAC Name(4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3c(C)cnn3c2)ccc1N1CCN(S(C)(=O)=O)CC1.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3c(C)cnn3c2)ccc1N1CCNCC1
InChIInChI=1S/C26H33N5O5S.C25H31N5O3/c1-17-14-28-31-16-21(12-24(26(17)31)36-18(2)20-13-25(32)27-15-20)19-5-6-22(23(11-19)35-3)29-7-9-30(10-8-29)37(4,33)34;1-16-13-28-30-15-20(11-23(25(16)30)33-17(2)19-12-24(31)27-14-19)18-4-5-21(22(10-18)32-3)29-8-6-26-7-9-29/h5-6,11-12,14,16,18,20H,7-10,13,15H2,1-4H3,(H,27,32);4-5,10-11,13,15,17,19,26H,6-9,12,14H2,1-3H3,(H,27,31)/t18-,20-;17-,19-/m11/s1
InChIKeyYTBBENKWACQAJD-HVCNFISISA-N
XLogP4.93
TPSA185.61 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.20
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze (4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Related Compounds

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
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
(4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842814
4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842815
tert-butyl 4-(2-methoxy-4-(3-methyl-4-((R)-1-((R)-5-oxopyrrolidin-3-yl)ethoxy)pyrazolo[1,5-a]pyrazin-6-yl)phenyl)piperazine-1-carboxylate
CID 117842905
tert-butyl 4-[2-methoxy-4-[3-methyl-4-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyrazin-6-yl]phenyl]piperazine-1-carboxylate
CID 117842906
(R)-4-((R)-1-((6-(3-methoxy-4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrazin-4-yl)oxy)ethyl)pyrrolidin-2-one
CID 117843062
4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117843063
(R)-4-((R)-1-((6-(3-methoxy-4-(4-(oxetan-3-yl)piperazin-1-yl)phenyl)-3-methylpyrazolo[1,5-a]pyrazin-4-yl)oxy)ethyl)pyrrolidin-2-one
CID 117843068
4-[(1R)-1-[6-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-3-methylpyrazolo[1,5-a]pyrazin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117843069
6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 117843130
6-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 117843131

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 162007686) is (4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3c(C)cnn3c2)ccc1N1CCN(S(C)(=O)=O)CC1.COc1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3c(C)cnn3c2)ccc1N1CCNCC1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is YTBBENKWACQAJD-HVCNFISISA-N. The full InChI is InChI=1S/C26H33N5O5S.C25H31N5O3/c1-17-14-28-31-16-21(12-24(26(17)31)36-18(2)20-13-25(32)27-15-20)19-5-6-22(23(11-19)35-3)29-7-9-30(10-8-29)37(4,33)34;1-16-13-28-30-15-20(11-23(25(16)30)33-17(2)19-12-24(31)27-14-19)18-4-5-21(22(10-18)32-3)29-8-6-26-7-9-29/h5-6,11-12,14,16,18,20H,7-10,13,15H2,1-4H3,(H,27,32);4-5,10-11,13,15,17,19,26H,6-9,12,14H2,1-3H3,(H,27,31)/t18-,20-;17-,19-/m11/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 977.20 g/mol, XLogP of 4.93, 13 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-[3-methoxy-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(3-methoxy-4-piperazin-1-ylphenyl)-3-methylpyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 162007686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).