4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C22H22F2N6 — CID 167312208

IUPAC4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCC(F)(Cn2cnc(-c3ccc(F)cn3)c2-c2ccnc3[nH]ccc23)CC1
InChIInChI=1S/C22H22F2N6/c1-29-10-6-22(24,7-11-29)13-30-14-28-19(18-3-2-15(23)12-27-18)20(30)16-4-8-25-21-17(16)5-9-26-21/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,25,26)
InChIKeySWOIFXHMBKFCRM-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.06
Rot. Bonds4

About 4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 167312208) has the molecular formula C22H22F2N6 and a molecular weight of 408.46 g/mol. Its IUPAC name is 4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID167312208
Molecular FormulaC22H22F2N6
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESCN1CCC(F)(Cn2cnc(-c3ccc(F)cn3)c2-c2ccnc3[nH]ccc23)CC1
InChIInChI=1S/C22H22F2N6/c1-29-10-6-22(24,7-11-29)13-30-14-28-19(18-3-2-15(23)12-27-18)20(30)16-4-8-25-21-17(16)5-9-26-21/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,25,26)
InChIKeySWOIFXHMBKFCRM-UHFFFAOYSA-N
XLogP4.06
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 167312208) is 4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is CN1CCC(F)(Cn2cnc(-c3ccc(F)cn3)c2-c2ccnc3[nH]ccc23)CC1.
What is the InChIKey of 4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SWOIFXHMBKFCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6/c1-29-10-6-22(24,7-11-29)13-30-14-28-19(18-3-2-15(23)12-27-18)20(30)16-4-8-25-21-17(16)5-9-26-21/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,25,26).
What are the key properties of 4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 408.46 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 167312208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).