(4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one

C26H31N5O3 — CID 150649433

IUPAC(4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc2ccc(-c3ccc(N4CCN(C5COC5)CC4)cc3)cn2n1)[C@H]1CNC(=O)C1
InChIInChI=1S/C26H31N5O3/c1-18(21-12-25(32)27-14-21)34-26-13-23-7-4-20(15-31(23)28-26)19-2-5-22(6-3-19)29-8-10-30(11-9-29)24-16-33-17-24/h2-7,13,15,18,21,24H,8-12,14,16-17H2,1H3,(H,27,32)/t18-,21-/m1/s1
InChIKeyJBOFEJNTXMFUDE-WIYYLYMNSA-N
MW461.57 g/mol
LogP2.43
Rot. Bonds6

About (4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 150649433) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one
PubChem CID150649433
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name(4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one
SMILESC[C@@H](Oc1cc2ccc(-c3ccc(N4CCN(C5COC5)CC4)cc3)cn2n1)[C@H]1CNC(=O)C1
InChIInChI=1S/C26H31N5O3/c1-18(21-12-25(32)27-14-21)34-26-13-23-7-4-20(15-31(23)28-26)19-2-5-22(6-3-19)29-8-10-30(11-9-29)24-16-33-17-24/h2-7,13,15,18,21,24H,8-12,14,16-17H2,1H3,(H,27,32)/t18-,21-/m1/s1
InChIKeyJBOFEJNTXMFUDE-WIYYLYMNSA-N
XLogP2.43
TPSA71.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-[(1R)-1-[[5-[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[[5-(5-piperazin-1-yl-2-pyridinyl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
CID 159681481
(4R)-4-[(1R)-1-[[6-[3-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1H-imidazo[4,5-c]pyridin-4-yl]oxy]ethyl]pyrrolidin-2-one
CID 147727589
4-[1-[3-cyclopropyl-6-[6-[4-(oxetan-3-yl)piperazin-1-yl]pyridazin-3-yl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one
CID 123981528
4-[1-[3-cyclopropyl-6-[3-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123826159
4-[1-[[2-methyl-5-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
CID 118396509
(4R)-4-[(1R)-1-[[5-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[[5-(3-methoxy-4-piperazin-1-ylphenyl)-1,3-benzothiazol-7-yl]oxy]ethyl]pyrrolidin-2-one
CID 158908071
(4R)-4-[(1R)-1-[3-cyclopropyl-6-[2-fluoro-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]benzimidazol-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(3-cyclopropyl-6-methylbenzimidazol-4-yl)oxyethyl]pyrrolidin-2-one;1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(oxetan-3-yl)piperazine
CID 157058809
4-[1-[3-methyl-6-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123432561
4-[1-[3-cyclopropyl-6-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]phenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123712243
ethane;4-[1-(5-oxopyrrolidin-3-yl)ethoxy]-6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 144786649
1-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]-6-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzimidazole
CID 171566083
(4R)-4-[(1R)-1-[3-amino-5-(5-piperazin-1-yl-2-pyridinyl)-2-sulfanylphenoxy]ethyl]pyrrolidin-2-one
CID 136954738

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one (CID 150649433) is (4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one is C[C@@H](Oc1cc2ccc(-c3ccc(N4CCN(C5COC5)CC4)cc3)cn2n1)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is JBOFEJNTXMFUDE-WIYYLYMNSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-18(21-12-25(32)27-14-21)34-26-13-23-7-4-20(15-31(23)28-26)19-2-5-22(6-3-19)29-8-10-30(11-9-29)24-16-33-17-24/h2-7,13,15,18,21,24H,8-12,14,16-17H2,1H3,(H,27,32)/t18-,21-/m1/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 461.57 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]pyrazolo[1,5-a]pyridin-2-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 150649433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).