1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one

C52H60N14O4 — CID 123139465

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one
SMILESCC(Nc1c(-c2ccc(N3CCCC3C3CN(C(=O)C(C)Nc4c(-c5ccc(N6CCCC6)cc5)nc5cnccn45)CCN3C)cc2)nc2cnccn12)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C52H60N14O4/c1-35(50(67)61-27-29-62(30-28-61)52(69)43-9-7-31-70-43)55-48-47(58-45-33-53-18-23-65(45)48)38-12-16-40(17-13-38)64-22-6-8-41(64)42-34-63(26-25-59(42)3)51(68)36(2)56-49-46(57-44-32-54-19-24-66(44)49)37-10-14-39(15-11-37)60-20-4-5-21-60/h7,9-19,23-24,31-33,35-36,41-42,55-56H,4-6,8,20-22,25-30,34H2,1-3H3
InChIKeyJSRKLZZKDVVVTO-UHFFFAOYSA-N
MW945.15 g/mol
LogP5.70
Rot. Bonds12

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one (PubChem CID 123139465) has the molecular formula C52H60N14O4 and a molecular weight of 945.15 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one
PubChem CID123139465
Molecular FormulaC52H60N14O4
Molecular Weight945.15 g/mol
Exact Mass944.49
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one
SMILESCC(Nc1c(-c2ccc(N3CCCC3C3CN(C(=O)C(C)Nc4c(-c5ccc(N6CCCC6)cc5)nc5cnccn45)CCN3C)cc2)nc2cnccn12)C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C52H60N14O4/c1-35(50(67)61-27-29-62(30-28-61)52(69)43-9-7-31-70-43)55-48-47(58-45-33-53-18-23-65(45)48)38-12-16-40(17-13-38)64-22-6-8-41(64)42-34-63(26-25-59(42)3)51(68)36(2)56-49-46(57-44-32-54-19-24-66(44)49)37-10-14-39(15-11-37)60-20-4-5-21-60/h7,9-19,23-24,31-33,35-36,41-42,55-56H,4-6,8,20-22,25-30,34H2,1-3H3
InChIKeyJSRKLZZKDVVVTO-UHFFFAOYSA-N
XLogP5.70
TPSA168.23 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500945.15
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one with MolForge

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Related Compounds

N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-2-furamide
CID 852162
N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)furan-2-carboxamide
CID 7080334
N-(2,6-diphenylimidazo[1,2-a]pyrazin-8-yl)furan-2-carboxamide
CID 137658061
N-(2-phenylimidazo[1,2-a]pyridin-3-yl)furan-2-carboxamide
CID 649112
ALP-POS-02c6a514-34
CID 156906919
N-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)furan-2-carboxamide
CID 886527
2-[(1S,12bS)-12b-ethyl-1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-4-oxo-1,2,3,6,7,12-hexahydroindolo[2,3-a]quinolizin-3-yl]-N-(3-imidazol-1-ylpropyl)acetamide
CID 44263685
N-[4-[[[6-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylimidazo[1,2-a]pyridin-3-yl]-methylamino]methyl]phenyl]acetamide
CID 49790814
3-{3-[(Furan-2-ylmethyl)-amino]-8-methyl-imidazo[1,2-a]pyridin-2-yl}-6-methyl-1H-quinolin-2-one
CID 653176
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)furan-2-carboxamide
CID 843176
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]furan-2-carboxamide
CID 843181
N-[4-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-furamide
CID 852163

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one (CID 123139465) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one is CC(Nc1c(-c2ccc(N3CCCC3C3CN(C(=O)C(C)Nc4c(-c5ccc(N6CCCC6)cc5)nc5cnccn45)CCN3C)cc2)nc2cnccn12)C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one?
The InChIKey is JSRKLZZKDVVVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H60N14O4/c1-35(50(67)61-27-29-62(30-28-61)52(69)43-9-7-31-70-43)55-48-47(58-45-33-53-18-23-65(45)48)38-12-16-40(17-13-38)64-22-6-8-41(64)42-34-63(26-25-59(42)3)51(68)36(2)56-49-46(57-44-32-54-19-24-66(44)49)37-10-14-39(15-11-37)60-20-4-5-21-60/h7,9-19,23-24,31-33,35-36,41-42,55-56H,4-6,8,20-22,25-30,34H2,1-3H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one has a molecular weight of 945.15 g/mol, XLogP of 5.70, 12 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[2-[4-[2-[1-methyl-4-[2-[[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanoyl]piperazin-2-yl]pyrrolidin-1-yl]phenyl]imidazo[1,2-a]pyrazin-3-yl]amino]propan-1-one is sourced from PubChem (CID 123139465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).