(1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone

C25H25FN6O — CID 95834175

IUPAC(1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1nc2cc(C(=O)N3CCC(c4ccc(Nc5ccc(F)cn5)cn4)CC3)ccc2n1C
InChIInChI=1S/C25H25FN6O/c1-16-29-22-13-18(3-7-23(22)31(16)2)25(33)32-11-9-17(10-12-32)21-6-5-20(15-27-21)30-24-8-4-19(26)14-28-24/h3-8,13-15,17H,9-12H2,1-2H3,(H,28,30)
InChIKeyOPQYLGYBSBUQDV-UHFFFAOYSA-N
MW444.51 g/mol
LogP4.57
Rot. Bonds4

About (1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone

(1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone (PubChem CID 95834175) has the molecular formula C25H25FN6O and a molecular weight of 444.51 g/mol. Its IUPAC name is (1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone
PubChem CID95834175
Molecular FormulaC25H25FN6O
Molecular Weight444.51 g/mol
Exact Mass444.21
IUPAC Name(1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone
SMILESCc1nc2cc(C(=O)N3CCC(c4ccc(Nc5ccc(F)cn5)cn4)CC3)ccc2n1C
InChIInChI=1S/C25H25FN6O/c1-16-29-22-13-18(3-7-23(22)31(16)2)25(33)32-11-9-17(10-12-32)21-6-5-20(15-27-21)30-24-8-4-19(26)14-28-24/h3-8,13-15,17H,9-12H2,1-2H3,(H,28,30)
InChIKeyOPQYLGYBSBUQDV-UHFFFAOYSA-N
XLogP4.57
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
N-[1-(1,2-dimethylbenzimidazole-5-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 51101306
6-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-(5-fluoro-2-pyridinyl)pyridin-3-amine
CID 95834167
[4-(1,2-dimethylbenzimidazole-5-carbonyl)piperazin-1-yl]-phenylmethanone
CID 110802064
(1,2-dimethylbenzimidazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023368
[(2S)-2-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 95813537
(1,2-dimethylbenzimidazol-5-yl)-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759028
1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 125023472
[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110093216
(1,2-dimethylbenzimidazol-5-yl)-[4-[(3S)-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazin-3-yl]piperidin-1-yl]methanone
CID 95800188
(1,2-dimethylbenzimidazol-5-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96511895
[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 110093431

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
The IUPAC name of (1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone (CID 95834175) is (1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
The canonical SMILES for (1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone is Cc1nc2cc(C(=O)N3CCC(c4ccc(Nc5ccc(F)cn5)cn4)CC3)ccc2n1C.
What is the InChIKey of (1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
The InChIKey is OPQYLGYBSBUQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O/c1-16-29-22-13-18(3-7-23(22)31(16)2)25(33)32-11-9-17(10-12-32)21-6-5-20(15-27-21)30-24-8-4-19(26)14-28-24/h3-8,13-15,17H,9-12H2,1-2H3,(H,28,30).
What are the key properties of (1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone?
(1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone has a molecular weight of 444.51 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylbenzimidazol-5-yl)-[4-[5-[(5-fluoro-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95834175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).