(3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone

C24H28N6O2 — CID 129315394

IUPAC(3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N1CC(C)(C)C1
InChIInChI=1S/C24H28N6O2/c1-16-21(23(31)30-14-24(2,3)15-30)28-22(27-16)20-11-17(4-5-26-20)18-10-19(13-25-12-18)29-6-8-32-9-7-29/h4-5,10-13H,6-9,14-15H2,1-3H3,(H,27,28)
InChIKeyFMTPAMGRRBAXIZ-UHFFFAOYSA-N
MW432.53 g/mol
LogP3.16
Rot. Bonds4

About (3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone

(3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone (PubChem CID 129315394) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is (3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone.

Molecular Properties

Compound Name(3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone
PubChem CID129315394
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC Name(3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone
SMILESCc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N1CC(C)(C)C1
InChIInChI=1S/C24H28N6O2/c1-16-21(23(31)30-14-24(2,3)15-30)28-22(27-16)20-11-17(4-5-26-20)18-10-19(13-25-12-18)29-6-8-32-9-7-29/h4-5,10-13H,6-9,14-15H2,1-3H3,(H,27,28)
InChIKeyFMTPAMGRRBAXIZ-UHFFFAOYSA-N
XLogP3.16
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone with MolForge

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Related Compounds

N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide
CID 129315839
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
CID 129315581
4-[5-[2-(5-propan-2-yl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine;2,2,2-trifluoroacetic acid
CID 129315872
4-[5-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]morpholine
CID 129315533
(3-hydroxypyrrolidin-1-yl)-[5-methyl-2-[4-(5-methylsulfonyl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone
CID 165112481
[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 129315527
5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid
CID 174872060
(3,3-difluoropyrrolidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone;2,2,2-trifluoroacetic acid
CID 155068418
(4-benzylpiperidin-1-yl)-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]methanone
CID 129315725
1-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]pyridine-3-carbonyl]azetidine-3-carbonitrile
CID 129315463
morpholin-4-yl-[4-[[4-(5-morpholin-4-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 117078709
3-[5-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-pyridinyl]-3-pyridinyl]-2,5-dihydropyrrole-1-carboxylic acid
CID 129315845

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone?
The IUPAC name of (3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone (CID 129315394) is (3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone.
What is the SMILES notation for (3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone?
The canonical SMILES for (3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone is Cc1[nH]c(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)nc1C(=O)N1CC(C)(C)C1.
What is the InChIKey of (3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone?
The InChIKey is FMTPAMGRRBAXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-16-21(23(31)30-14-24(2,3)15-30)28-22(27-16)20-11-17(4-5-26-20)18-10-19(13-25-12-18)29-6-8-32-9-7-29/h4-5,10-13H,6-9,14-15H2,1-3H3,(H,27,28).
What are the key properties of (3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone?
(3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone has a molecular weight of 432.53 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone is sourced from PubChem (CID 129315394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).