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

C48H56N10O5 — CID 159697705

IUPAC(4R)-4-[(1R)-1-[6-[4-(4-acetylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)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)c4ccnn4c3)cc2)CC1.C[C@@H](Oc1cc(-c2ccc(N3CCNCC3)cc2)cn2nccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C25H29N5O3.C23H27N5O2/c1-17(20-14-25(32)26-15-20)33-24-13-21(16-30-23(24)7-8-27-30)19-3-5-22(6-4-19)29-11-9-28(10-12-29)18(2)31;1-16(18-13-23(29)25-14-18)30-22-12-19(15-28-21(22)6-7-26-28)17-2-4-20(5-3-17)27-10-8-24-9-11-27/h3-8,13,16-17,20H,9-12,14-15H2,1-2H3,(H,26,32);2-7,12,15-16,18,24H,8-11,13-14H2,1H3,(H,25,29)/t17-,20-;16-,18-/m11/s1
InChIKeyMXFMVQFZFYVVPJ-QAGDBKNRSA-N
MW853.04 g/mol
LogP4.89
Rot. Bonds10

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

(4R)-4-[(1R)-1-[6-[4-(4-acetylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 159697705) has the molecular formula C48H56N10O5 and a molecular weight of 853.04 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[6-[4-(4-acetylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(1R)-1-[6-[4-(4-acetylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID159697705
Molecular FormulaC48H56N10O5
Molecular Weight853.04 g/mol
Exact Mass852.44
IUPAC Name(4R)-4-[(1R)-1-[6-[4-(4-acetylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)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)c4ccnn4c3)cc2)CC1.C[C@@H](Oc1cc(-c2ccc(N3CCNCC3)cc2)cn2nccc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C25H29N5O3.C23H27N5O2/c1-17(20-14-25(32)26-15-20)33-24-13-21(16-30-23(24)7-8-27-30)19-3-5-22(6-4-19)29-11-9-28(10-12-29)18(2)31;1-16(18-13-23(29)25-14-18)30-22-12-19(15-28-21(22)6-7-26-28)17-2-4-20(5-3-17)27-10-8-24-9-11-27/h3-8,13,16-17,20H,9-12,14-15H2,1-2H3,(H,26,32);2-7,12,15-16,18,24H,8-11,13-14H2,1H3,(H,25,29)/t17-,20-;16-,18-/m11/s1
InChIKeyMXFMVQFZFYVVPJ-QAGDBKNRSA-N
XLogP4.89
TPSA150.08 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500853.04
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

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

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Related Compounds

N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-5-[2-[2-[2-[2-[[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57402366
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5-[2-[2-[2-[2-[[3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylcarbamoyl]pyrazolo[1,5-a]pyridin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57398875
example 6.09 on page 559 of WO15017610
CID 117843683
example 6.60 on page 587 of WO15017610
CID 91886047
US9914735, Example 12
CID 118401278
US9914735, Example 67
CID 118401282
US9914735, Example 11
CID 118401287
(4R)-4-[(1R)-1-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117843035
4-[(1R)-1-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117843036
4-[1-[6-[1-(2,2-Difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 123463097
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137039357
N-[5-[3-[4-[3-[2-(dimethylamino)ethoxy]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 137039732

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[6-[4-(4-acetylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(1R)-1-[6-[4-(4-acetylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 159697705) is (4R)-4-[(1R)-1-[6-[4-(4-acetylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(1R)-1-[6-[4-(4-acetylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(1R)-1-[6-[4-(4-acetylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)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)c4ccnn4c3)cc2)CC1.C[C@@H](Oc1cc(-c2ccc(N3CCNCC3)cc2)cn2nccc12)[C@H]1CNC(=O)C1.
What is the InChIKey of (4R)-4-[(1R)-1-[6-[4-(4-acetylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is MXFMVQFZFYVVPJ-QAGDBKNRSA-N. The full InChI is InChI=1S/C25H29N5O3.C23H27N5O2/c1-17(20-14-25(32)26-15-20)33-24-13-21(16-30-23(24)7-8-27-30)19-3-5-22(6-4-19)29-11-9-28(10-12-29)18(2)31;1-16(18-13-23(29)25-14-18)30-22-12-19(15-28-21(22)6-7-26-28)17-2-4-20(5-3-17)27-10-8-24-9-11-27/h3-8,13,16-17,20H,9-12,14-15H2,1-2H3,(H,26,32);2-7,12,15-16,18,24H,8-11,13-14H2,1H3,(H,25,29)/t17-,20-;16-,18-/m11/s1.
What are the key properties of (4R)-4-[(1R)-1-[6-[4-(4-acetylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
(4R)-4-[(1R)-1-[6-[4-(4-acetylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 853.04 g/mol, XLogP of 4.89, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(1R)-1-[6-[4-(4-acetylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 159697705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).