5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

C23H21F2N7 — CID 122608740

IUPAC5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)n1cc(-c2cnc3[nH]cc(-c4ccc5ncn(C6CCCNC6)c5c4)c3c2)cn1
InChIInChI=1S/C23H21F2N7/c24-23(25)32-12-16(9-30-32)15-6-18-19(11-28-22(18)27-8-15)14-3-4-20-21(7-14)31(13-29-20)17-2-1-5-26-10-17/h3-4,6-9,11-13,17,23,26H,1-2,5,10H2,(H,27,28)
InChIKeyARHNKSPZSMOZCG-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.76
Rot. Bonds4

About 5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine

5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 122608740) has the molecular formula C23H21F2N7 and a molecular weight of 433.47 g/mol. Its IUPAC name is 5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID122608740
Molecular FormulaC23H21F2N7
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESFC(F)n1cc(-c2cnc3[nH]cc(-c4ccc5ncn(C6CCCNC6)c5c4)c3c2)cn1
InChIInChI=1S/C23H21F2N7/c24-23(25)32-12-16(9-30-32)15-6-18-19(11-28-22(18)27-8-15)14-3-4-20-21(7-14)31(13-29-20)17-2-1-5-26-10-17/h3-4,6-9,11-13,17,23,26H,1-2,5,10H2,(H,27,28)
InChIKeyARHNKSPZSMOZCG-UHFFFAOYSA-N
XLogP4.76
TPSA76.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]propane-2-sulfonamide
CID 122608763
7-(3-piperidin-3-ylbenzimidazol-5-yl)-2-(4-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 122608495
1-piperidin-3-yl-6-[5-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzimidazole
CID 148801705
1-cyclohexyl-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
CID 122608897
2-(2-piperazin-1-yl-4-pyridinyl)-7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 122670217
3-cyclobutyl-5-[1-(difluoromethyl)pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 166302110
2-[4-[7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]-1,2-thiazolidine 1,1-dioxide
CID 122670212
2-[4-[7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]thiazinane 1,1-dioxide
CID 122670210
1-piperidin-3-ylimidazo[4,5-c]pyridin-6-amine
CID 67517127
2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7-[(3S)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidine
CID 135368243
4-[4-[5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]-2-pyridinyl]morpholine
CID 159202024
(3R)-3-[4-(4-fluorophenyl)imidazol-1-yl]piperidine
CID 175254745

Frequently Asked Questions

What is the IUPAC name of 5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 122608740) is 5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is FC(F)n1cc(-c2cnc3[nH]cc(-c4ccc5ncn(C6CCCNC6)c5c4)c3c2)cn1.
What is the InChIKey of 5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ARHNKSPZSMOZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7/c24-23(25)32-12-16(9-30-32)15-6-18-19(11-28-22(18)27-8-15)14-3-4-20-21(7-14)31(13-29-20)17-2-1-5-26-10-17/h3-4,6-9,11-13,17,23,26H,1-2,5,10H2,(H,27,28).
What are the key properties of 5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine?
5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 433.47 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(difluoromethyl)pyrazol-4-yl]-3-(3-piperidin-3-ylbenzimidazol-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 122608740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).