(4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C46H52Cl2N12O5 — CID 160838404

IUPAC(4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(=O)N1CCN(c2ccc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4c(Cl)cnn4c3)nc2)CC1.C[C@@H](Oc1cc(-c2ccc(N3CCNCC3)cn2)cn2ncc(Cl)c12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H27ClN6O3.C22H25ClN6O2/c1-15(17-10-23(33)27-11-17)34-22-9-18(14-31-24(22)20(25)13-28-31)21-4-3-19(12-26-21)30-7-5-29(6-8-30)16(2)32;1-14(15-9-21(30)26-10-15)31-20-8-16(13-29-22(20)18(23)12-27-29)19-3-2-17(11-25-19)28-6-4-24-5-7-28/h3-4,9,12-15,17H,5-8,10-11H2,1-2H3,(H,27,33);2-3,8,11-15,24H,4-7,9-10H2,1H3,(H,26,30)/t15-,17-;14-,15-/m11/s1
InChIKeySHRWKECJHYBCBE-UZWAGHJASA-N
MW923.91 g/mol
LogP4.98
Rot. Bonds10

About (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-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-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 160838404) has the molecular formula C46H52Cl2N12O5 and a molecular weight of 923.91 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-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-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID160838404
Molecular FormulaC46H52Cl2N12O5
Molecular Weight923.91 g/mol
Exact Mass922.36
IUPAC Name(4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(=O)N1CCN(c2ccc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4c(Cl)cnn4c3)nc2)CC1.C[C@@H](Oc1cc(-c2ccc(N3CCNCC3)cn2)cn2ncc(Cl)c12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H27ClN6O3.C22H25ClN6O2/c1-15(17-10-23(33)27-11-17)34-22-9-18(14-31-24(22)20(25)13-28-31)21-4-3-19(12-26-21)30-7-5-29(6-8-30)16(2)32;1-14(15-9-21(30)26-10-15)31-20-8-16(13-29-22(20)18(23)12-27-29)19-3-2-17(11-25-19)28-6-4-24-5-7-28/h3-4,9,12-15,17H,5-8,10-11H2,1-2H3,(H,27,33);2-3,8,11-15,24H,4-7,9-10H2,1H3,(H,26,30)/t15-,17-;14-,15-/m11/s1
InChIKeySHRWKECJHYBCBE-UZWAGHJASA-N
XLogP4.98
TPSA175.86 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500923.91
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-Chloro-4-[1-(5-fluoro-2-pyridinyl)-2-phenylmethoxyethoxy]-6-[5-methyl-1-(3-piperazin-1-ylcyclobutyl)triazol-4-yl]pyrazolo[1,5-a]pyridine
CID 176015943
(3-amino-1-fluorocyclobutyl)-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 178130417
[3-[2-[3-chloro-4-[2-(5-fluoro-2-pyridinyl)-2-hydroxyethoxy]pyrazolo[1,5-a]pyridin-6-yl]-3-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]-3-fluorocyclobutyl]cyanamide
CID 178130578
(4R)-4-[(1R)-1-[3-chloro-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842951
4-[(1R)-1-[3-chloro-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842952
(4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117843010
4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117843011
(4R)-4-[(1R)-1-[6-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117843086
4-[(1R)-1-[6-(5-morpholin-4-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117843087
(4R)-4-[(1R)-1-[3-cyclopropyl-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117843226
4-[(1R)-1-[3-cyclopropyl-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117843227
(R)-4-((R)-1-((6-(5-(piperazin-1-yl)pyridin-2-yl)pyrazolo[1,5-a]pyridin-4-yl)oxy)ethyl)pyrrolidin-2-one
CID 117843240

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-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-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 160838404) is (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-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-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-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-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is CC(=O)N1CCN(c2ccc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4c(Cl)cnn4c3)nc2)CC1.C[C@@H](Oc1cc(-c2ccc(N3CCNCC3)cn2)cn2ncc(Cl)c12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is SHRWKECJHYBCBE-UZWAGHJASA-N. The full InChI is InChI=1S/C24H27ClN6O3.C22H25ClN6O2/c1-15(17-10-23(33)27-11-17)34-22-9-18(14-31-24(22)20(25)13-28-31)21-4-3-19(12-26-21)30-7-5-29(6-8-30)16(2)32;1-14(15-9-21(30)26-10-15)31-20-8-16(13-29-22(20)18(23)12-27-29)19-3-2-17(11-25-19)28-6-4-24-5-7-28/h3-4,9,12-15,17H,5-8,10-11H2,1-2H3,(H,27,33);2-3,8,11-15,24H,4-7,9-10H2,1H3,(H,26,30)/t15-,17-;14-,15-/m11/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-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-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 923.91 g/mol, XLogP of 4.98, 10 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-3-chloropyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 160838404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).