4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine

C51H50N10O2 — CID 143489885

IUPAC4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine
SMILESCc1cccc(-c2cn[nH]c2-c2ccnc(-c3ccc(OC(Cc4cccc(-c5cn[nH]c5-c5ccnc(-c6ccc(CN7CCOCC7)cc6)c5)n4)CN4CCCC4)cc3)c2)n1
InChIInChI=1S/C51H50N10O2/c1-35-6-4-8-46(56-35)44-31-54-58-50(44)39-18-21-53-49(29-39)38-14-16-42(17-15-38)63-43(34-60-22-2-3-23-60)30-41-7-5-9-47(57-41)45-32-55-59-51(45)40-19-20-52-48(28-40)37-12-10-36(11-13-37)33-61-24-26-62-27-25-61/h4-21,28-29,31-32,43H,2-3,22-27,30,33-34H2,1H3,(H,54,58)(H,55,59)
InChIKeyBXZLUQDZTMHAHU-UHFFFAOYSA-N
MW835.03 g/mol
LogP8.94
Rot. Bonds14

About 4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine

4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine (PubChem CID 143489885) has the molecular formula C51H50N10O2 and a molecular weight of 835.03 g/mol. Its IUPAC name is 4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine
PubChem CID143489885
Molecular FormulaC51H50N10O2
Molecular Weight835.03 g/mol
Exact Mass834.41
IUPAC Name4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine
SMILESCc1cccc(-c2cn[nH]c2-c2ccnc(-c3ccc(OC(Cc4cccc(-c5cn[nH]c5-c5ccnc(-c6ccc(CN7CCOCC7)cc6)c5)n4)CN4CCCC4)cc3)c2)n1
InChIInChI=1S/C51H50N10O2/c1-35-6-4-8-46(56-35)44-31-54-58-50(44)39-18-21-53-49(29-39)38-14-16-42(17-15-38)63-43(34-60-22-2-3-23-60)30-41-7-5-9-47(57-41)45-32-55-59-51(45)40-19-20-52-48(28-40)37-12-10-36(11-13-37)33-61-24-26-62-27-25-61/h4-21,28-29,31-32,43H,2-3,22-27,30,33-34H2,1H3,(H,54,58)(H,55,59)
InChIKeyBXZLUQDZTMHAHU-UHFFFAOYSA-N
XLogP8.94
TPSA133.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.03
LogP ≤ 58.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyridin-2-yl}-phenyl)oxy]ethyl}morpholine
CID 11604319
4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)-2-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)pyridine
CID 10295106
2-(4-(2-cyclohexylethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11495553
dimethyl-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-2-pyridinyl}phenyl)oxy]ethyl}amine
CID 11682470
2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine
CID 89684547
3-{[(1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)oxy]methyl}pyridine
CID 16187808
2-Methyl-5-[1-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine;2-methyl-5-[2-[(4-phenylmethoxyphenyl)methyl]pyrazol-3-yl]pyridine
CID 44530458
N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine
CID 56677286
2-{[(1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)oxy]methyl}pyridine
CID 16190063
3-fluoro-6-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine
CID 122625464
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137311483
3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 137364728

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine (CID 143489885) is 4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine is Cc1cccc(-c2cn[nH]c2-c2ccnc(-c3ccc(OC(Cc4cccc(-c5cn[nH]c5-c5ccnc(-c6ccc(CN7CCOCC7)cc6)c5)n4)CN4CCCC4)cc3)c2)n1.
What is the InChIKey of 4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine?
The InChIKey is BXZLUQDZTMHAHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H50N10O2/c1-35-6-4-8-46(56-35)44-31-54-58-50(44)39-18-21-53-49(29-39)38-14-16-42(17-15-38)63-43(34-60-22-2-3-23-60)30-41-7-5-9-47(57-41)45-32-55-59-51(45)40-19-20-52-48(28-40)37-12-10-36(11-13-37)33-61-24-26-62-27-25-61/h4-21,28-29,31-32,43H,2-3,22-27,30,33-34H2,1H3,(H,54,58)(H,55,59).
What are the key properties of 4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine?
4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine has a molecular weight of 835.03 g/mol, XLogP of 8.94, 14 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-[4-[6-[2-[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenoxy]-3-pyrrolidin-1-ylpropyl]-2-pyridinyl]-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine is sourced from PubChem (CID 143489885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).