2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine

C22H21N7O — CID 67362079

IUPAC2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine
SMILESc1ccc(Oc2ncc(-c3cnc(C4CCN(c5cccnn5)CC4)[nH]3)cn2)cc1
InChIInChI=1S/C22H21N7O/c1-2-5-18(6-3-1)30-22-24-13-17(14-25-22)19-15-23-21(27-19)16-8-11-29(12-9-16)20-7-4-10-26-28-20/h1-7,10,13-16H,8-9,11-12H2,(H,23,27)
InChIKeyIAAWJPCWVVNNQR-UHFFFAOYSA-N
MW399.46 g/mol
LogP3.83
Rot. Bonds5

About 2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine

2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine (PubChem CID 67362079) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine.

Molecular Properties

Compound Name2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine
PubChem CID67362079
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine
SMILESc1ccc(Oc2ncc(-c3cnc(C4CCN(c5cccnn5)CC4)[nH]3)cn2)cc1
InChIInChI=1S/C22H21N7O/c1-2-5-18(6-3-1)30-22-24-13-17(14-25-22)19-15-23-21(27-19)16-8-11-29(12-9-16)20-7-4-10-26-28-20/h1-7,10,13-16H,8-9,11-12H2,(H,23,27)
InChIKeyIAAWJPCWVVNNQR-UHFFFAOYSA-N
XLogP3.83
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-5-[2-(1-pyridin-2-ylpiperidin-4-yl)-1H-imidazol-5-yl]phenol
CID 142070538
5-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine
CID 67361067
2-[4-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]pyridine
CID 10156114
5-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]-1H-imidazol-5-yl]-2-phenylpyrimidine
CID 45137720
3-[4-(chloromethyl)piperidin-1-yl]pyridazine
CID 63390374
4-(5-phenyl-1H-imidazol-2-yl)piperidine
CID 22615586
(2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060375
2-phenoxy-5-piperidin-1-ylpyrimidine
CID 150345244
2-[[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 167807274
3-(4-pyrrolidin-2-ylpiperidin-1-yl)pyridazine
CID 63257105
2-cyclopropyl-5-(4-fluorophenyl)-1H-imidazole
CID 90241425
(3R)-N-methyl-1-pyridazin-3-ylpyrrolidin-3-amine
CID 177337485

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine?
The IUPAC name of 2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine (CID 67362079) is 2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine.
What is the SMILES notation for 2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine?
The canonical SMILES for 2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine is c1ccc(Oc2ncc(-c3cnc(C4CCN(c5cccnn5)CC4)[nH]3)cn2)cc1.
What is the InChIKey of 2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine?
The InChIKey is IAAWJPCWVVNNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c1-2-5-18(6-3-1)30-22-24-13-17(14-25-22)19-15-23-21(27-19)16-8-11-29(12-9-16)20-7-4-10-26-28-20/h1-7,10,13-16H,8-9,11-12H2,(H,23,27).
What are the key properties of 2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine?
2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine has a molecular weight of 399.46 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-5-[2-(1-pyridazin-3-ylpiperidin-4-yl)-1H-imidazol-5-yl]pyrimidine is sourced from PubChem (CID 67362079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).