6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine

C17H18F3N7 — CID 118709836

IUPAC6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine
SMILESCN1CCN(c2cc3nc(Nc4ccc(C(F)(F)F)cn4)[nH]c3cn2)CC1
InChIInChI=1S/C17H18F3N7/c1-26-4-6-27(7-5-26)15-8-12-13(10-22-15)24-16(23-12)25-14-3-2-11(9-21-14)17(18,19)20/h2-3,8-10H,4-7H2,1H3,(H2,21,23,24,25)
InChIKeyYTEBIAUDTCMPLV-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.87
Rot. Bonds3

About 6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine

6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine (PubChem CID 118709836) has the molecular formula C17H18F3N7 and a molecular weight of 377.37 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine
PubChem CID118709836
Molecular FormulaC17H18F3N7
Molecular Weight377.37 g/mol
Exact Mass377.16
IUPAC Name6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine
SMILESCN1CCN(c2cc3nc(Nc4ccc(C(F)(F)F)cn4)[nH]c3cn2)CC1
InChIInChI=1S/C17H18F3N7/c1-26-4-6-27(7-5-26)15-8-12-13(10-22-15)24-16(23-12)25-14-3-2-11(9-21-14)17(18,19)20/h2-3,8-10H,4-7H2,1H3,(H2,21,23,24,25)
InChIKeyYTEBIAUDTCMPLV-UHFFFAOYSA-N
XLogP2.87
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine (CID 118709836) is 6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine is CN1CCN(c2cc3nc(Nc4ccc(C(F)(F)F)cn4)[nH]c3cn2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine?
The InChIKey is YTEBIAUDTCMPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7/c1-26-4-6-27(7-5-26)15-8-12-13(10-22-15)24-16(23-12)25-14-3-2-11(9-21-14)17(18,19)20/h2-3,8-10H,4-7H2,1H3,(H2,21,23,24,25).
What are the key properties of 6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine?
6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine has a molecular weight of 377.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-N-[5-(trifluoromethyl)-2-pyridinyl]-3H-imidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 118709836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).