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2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine

C21H20F3N9 — CID 155566213

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine
SMILESFC(F)(F)c1ccc(Nc2cc3nc(Nc4ccc(N5CCNCC5)cn4)[nH]c3cn2)cn1
InChIInChI=1S/C21H20F3N9/c22-21(23,24)17-3-1-13(10-26-17)29-19-9-15-16(12-28-19)31-20(30-15)32-18-4-2-14(11-27-18)33-7-5-25-6-8-33/h1-4,9-12,25H,5-8H2,(H,28,29)(H2,27,30,31,32)
InChIKeySKSDYESPNVIOQN-UHFFFAOYSA-N
MW455.45 g/mol
LogP3.66
Rot. Bonds5

About 2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine

2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine (PubChem CID 155566213) has the molecular formula C21H20F3N9 and a molecular weight of 455.45 g/mol. Its IUPAC name is 2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine
PubChem CID155566213
Molecular FormulaC21H20F3N9
Molecular Weight455.45 g/mol
Exact Mass455.18
IUPAC Name2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine
SMILESFC(F)(F)c1ccc(Nc2cc3nc(Nc4ccc(N5CCNCC5)cn4)[nH]c3cn2)cn1
InChIInChI=1S/C21H20F3N9/c22-21(23,24)17-3-1-13(10-26-17)29-19-9-15-16(12-28-19)31-20(30-15)32-18-4-2-14(11-27-18)33-7-5-25-6-8-33/h1-4,9-12,25H,5-8H2,(H,28,29)(H2,27,30,31,32)
InChIKeySKSDYESPNVIOQN-UHFFFAOYSA-N
XLogP3.66
TPSA106.68 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.45
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine?
The IUPAC name of 2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine (CID 155566213) is 2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine.
What is the SMILES notation for 2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine?
The canonical SMILES for 2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine is FC(F)(F)c1ccc(Nc2cc3nc(Nc4ccc(N5CCNCC5)cn4)[nH]c3cn2)cn1.
What is the InChIKey of 2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine?
The InChIKey is SKSDYESPNVIOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N9/c22-21(23,24)17-3-1-13(10-26-17)29-19-9-15-16(12-28-19)31-20(30-15)32-18-4-2-14(11-27-18)33-7-5-25-6-8-33/h1-4,9-12,25H,5-8H2,(H,28,29)(H2,27,30,31,32).
What are the key properties of 2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine?
2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine has a molecular weight of 455.45 g/mol, XLogP of 3.66, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-piperazin-1-yl-2-pyridinyl)-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine is sourced from PubChem (CID 155566213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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