6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide

C20H22F2N6O — CID 153393983

IUPAC6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide
SMILESCc1cn(CC2CN(c3nc(-c4ccc(F)cc4F)ccc3N)C2)cn1.NC=O
InChIInChI=1S/C19H19F2N5.CH3NO/c1-12-7-25(11-23-12)8-13-9-26(10-13)19-17(22)4-5-18(24-19)15-3-2-14(20)6-16(15)21;2-1-3/h2-7,11,13H,8-10,22H2,1H3;1H,(H2,2,3)
InChIKeyOHWGZTCFCVNHPR-UHFFFAOYSA-N
MW400.43 g/mol
LogP2.35
Rot. Bonds4

About 6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide

6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide (PubChem CID 153393983) has the molecular formula C20H22F2N6O and a molecular weight of 400.43 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide
PubChem CID153393983
Molecular FormulaC20H22F2N6O
Molecular Weight400.43 g/mol
Exact Mass400.18
IUPAC Name6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide
SMILESCc1cn(CC2CN(c3nc(-c4ccc(F)cc4F)ccc3N)C2)cn1.NC=O
InChIInChI=1S/C19H19F2N5.CH3NO/c1-12-7-25(11-23-12)8-13-9-26(10-13)19-17(22)4-5-18(24-19)15-3-2-14(20)6-16(15)21;2-1-3/h2-7,11,13H,8-10,22H2,1H3;1H,(H2,2,3)
InChIKeyOHWGZTCFCVNHPR-UHFFFAOYSA-N
XLogP2.35
TPSA103.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine
CID 153393984
4-(4-fluorophenyl)-1-[(1-methylazetidin-3-yl)methyl]imidazole
CID 155674758
2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[3-[(6-methyl-3-pyridinyl)methyl]azetidin-1-yl]ethanone
CID 158400189
4-(2,4-difluorophenyl)-1-ethylimidazole
CID 141121326
1-[(2,4-difluorophenyl)methyl]-4-methylimidazole
CID 130254978
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide
CID 149278130
2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-(2-methyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 163822504
2-(2,4-difluorophenyl)-4-methylpyridine;3-(2-methylpropyl)benzamide
CID 143790958
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide
CID 147018729
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-2-(oxetan-3-ylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
CID 155815444
4-[1-(cyclopropylmethyl)imidazol-4-yl]-5-(4-fluorophenyl)-2H-triazole
CID 172843445
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide
CID 159511705

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide?
The IUPAC name of 6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide (CID 153393983) is 6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide.
What is the SMILES notation for 6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide?
The canonical SMILES for 6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide is Cc1cn(CC2CN(c3nc(-c4ccc(F)cc4F)ccc3N)C2)cn1.NC=O.
What is the InChIKey of 6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide?
The InChIKey is OHWGZTCFCVNHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5.CH3NO/c1-12-7-25(11-23-12)8-13-9-26(10-13)19-17(22)4-5-18(24-19)15-3-2-14(20)6-16(15)21;2-1-3/h2-7,11,13H,8-10,22H2,1H3;1H,(H2,2,3).
What are the key properties of 6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide?
6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide has a molecular weight of 400.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-2-[3-[(4-methylimidazol-1-yl)methyl]azetidin-1-yl]pyridin-3-amine;formamide is sourced from PubChem (CID 153393983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).