4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine

C27H29N9O2 — CID 141219824

IUPAC4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine
SMILESc1ccc(C2=C(c3ncc[nH]3)C(c3ccn[nH]3)=C(c3ccon3)N(N3CCCC3)N2N2CCOCC2)cc1
InChIInChI=1S/C27H29N9O2/c1-2-6-20(7-3-1)25-24(27-28-11-12-29-27)23(21-8-10-30-31-21)26(22-9-17-38-32-22)36(33-13-4-5-14-33)35(25)34-15-18-37-19-16-34/h1-3,6-12,17H,4-5,13-16,18-19H2,(H,28,29)(H,30,31)
InChIKeyLVBADNJHFNSKSZ-UHFFFAOYSA-N
MW511.59 g/mol
LogP3.35
Rot. Bonds6

About 4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine

4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine (PubChem CID 141219824) has the molecular formula C27H29N9O2 and a molecular weight of 511.59 g/mol. Its IUPAC name is 4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine.

Molecular Properties

Compound Name4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine
PubChem CID141219824
Molecular FormulaC27H29N9O2
Molecular Weight511.59 g/mol
Exact Mass511.24
IUPAC Name4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine
SMILESc1ccc(C2=C(c3ncc[nH]3)C(c3ccn[nH]3)=C(c3ccon3)N(N3CCCC3)N2N2CCOCC2)cc1
InChIInChI=1S/C27H29N9O2/c1-2-6-20(7-3-1)25-24(27-28-11-12-29-27)23(21-8-10-30-31-21)26(22-9-17-38-32-22)36(33-13-4-5-14-33)35(25)34-15-18-37-19-16-34/h1-3,6-12,17H,4-5,13-16,18-19H2,(H,28,29)(H,30,31)
InChIKeyLVBADNJHFNSKSZ-UHFFFAOYSA-N
XLogP3.35
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.59
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine with MolForge

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Related Compounds

5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 86267722
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-(oxolan-3-yl)pyrimidin-4-amine
CID 90445908
5-fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-N-[[1-(1H-imidazol-2-yl)cyclopropyl]methyl]pyrimidin-4-amine
CID 90446021
[5-[5-Fluoro-2-[1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-4-yl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl] formate
CID 138375362
2-[1-[(2-Fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-5-morpholin-4-ylpyrimidin-4-amine
CID 68643355
4-[4-(4-fluorophenyl)-2-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]pyrimidin-2-amine
CID 67103998
4-[2-[4-(4-fluorophenyl)-1-(1,2-oxazol-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]pyrimidin-2-amine
CID 67103999
N-[4-amino-2-[1-[(2,3-difluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]-1H-pyrrole-3-carboxamide
CID 71621575
3-[1-[(2-fluorophenyl)methyl]-3-(7H-purin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 71621579
2-[1-[(2-Fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]-4-morpholin-4-ylpyrimidin-5-amine
CID 90445779
3-[1-[(2-Fluorophenyl)methyl]-3-(5-fluoro-4-pyrazolidin-1-ylpyrimidin-2-yl)pyrazol-5-yl]-1,2-oxazole
CID 90446407
2-[[2-[1-[(2-Fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)pyrazol-3-yl]pyrimidin-5-yl]amino]ethanol
CID 118233475

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine?
The IUPAC name of 4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine (CID 141219824) is 4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine.
What is the SMILES notation for 4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine?
The canonical SMILES for 4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine is c1ccc(C2=C(c3ncc[nH]3)C(c3ccn[nH]3)=C(c3ccon3)N(N3CCCC3)N2N2CCOCC2)cc1.
What is the InChIKey of 4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine?
The InChIKey is LVBADNJHFNSKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N9O2/c1-2-6-20(7-3-1)25-24(27-28-11-12-29-27)23(21-8-10-30-31-21)26(22-9-17-38-32-22)36(33-13-4-5-14-33)35(25)34-15-18-37-19-16-34/h1-3,6-12,17H,4-5,13-16,18-19H2,(H,28,29)(H,30,31).
What are the key properties of 4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine?
4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine has a molecular weight of 511.59 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1H-imidazol-2-yl)-3-(1,2-oxazol-3-yl)-6-phenyl-4-(1H-pyrazol-5-yl)-2-pyrrolidin-1-ylpyridazin-1-yl]morpholine is sourced from PubChem (CID 141219824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).