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

C25H26F3N9 — CID 155522165

IUPAC2-N-[5-[4-(cyclopropylmethyl)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(N5CCN(CC6CC6)CC5)cn4)[nH]c3cn2)cn1
InChIInChI=1S/C25H26F3N9/c26-25(27,28)21-5-3-17(12-29-21)32-23-11-19-20(14-31-23)34-24(33-19)35-22-6-4-18(13-30-22)37-9-7-36(8-10-37)15-16-1-2-16/h3-6,11-14,16H,1-2,7-10,15H2,(H,31,32)(H2,30,33,34,35)
InChIKeyAIKZDAIKXKBPJM-UHFFFAOYSA-N
MW509.54 g/mol
LogP4.79
Rot. Bonds7

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

2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine (PubChem CID 155522165) has the molecular formula C25H26F3N9 and a molecular weight of 509.54 g/mol. Its IUPAC name is 2-N-[5-[4-(cyclopropylmethyl)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-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine
PubChem CID155522165
Molecular FormulaC25H26F3N9
Molecular Weight509.54 g/mol
Exact Mass509.23
IUPAC Name2-N-[5-[4-(cyclopropylmethyl)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(N5CCN(CC6CC6)CC5)cn4)[nH]c3cn2)cn1
InChIInChI=1S/C25H26F3N9/c26-25(27,28)21-5-3-17(12-29-21)32-23-11-19-20(14-31-23)34-24(33-19)35-22-6-4-18(13-30-22)37-9-7-36(8-10-37)15-16-1-2-16/h3-6,11-14,16H,1-2,7-10,15H2,(H,31,32)(H2,30,33,34,35)
InChIKeyAIKZDAIKXKBPJM-UHFFFAOYSA-N
XLogP4.79
TPSA97.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.54
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-[5-[4-(cyclopropylmethyl)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-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine (CID 155522165) is 2-N-[5-[4-(cyclopropylmethyl)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-[4-(cyclopropylmethyl)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-[4-(cyclopropylmethyl)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(N5CCN(CC6CC6)CC5)cn4)[nH]c3cn2)cn1.
What is the InChIKey of 2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine?
The InChIKey is AIKZDAIKXKBPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N9/c26-25(27,28)21-5-3-17(12-29-21)32-23-11-19-20(14-31-23)34-24(33-19)35-22-6-4-18(13-30-22)37-9-7-36(8-10-37)15-16-1-2-16/h3-6,11-14,16H,1-2,7-10,15H2,(H,31,32)(H2,30,33,34,35).
What are the key properties of 2-N-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]-6-N-[6-(trifluoromethyl)-3-pyridinyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine?
2-N-[5-[4-(cyclopropylmethyl)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 509.54 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-[4-(cyclopropylmethyl)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 155522165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).