1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C14H15F3N6O — CID 97385223

IUPAC1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCC(F)(F)F)nc2c1CCN(c1ncccn1)C2
InChIInChI=1S/C14H15F3N6O/c1-22-10-3-6-23(13-18-4-2-5-19-13)7-9(10)21-11(22)12(24)20-8-14(15,16)17/h2,4-5H,3,6-8H2,1H3,(H,20,24)
InChIKeyREMJQJOTWDKGAX-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.06
Rot. Bonds3

About 1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 97385223) has the molecular formula C14H15F3N6O and a molecular weight of 340.31 g/mol. Its IUPAC name is 1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
PubChem CID97385223
Molecular FormulaC14H15F3N6O
Molecular Weight340.31 g/mol
Exact Mass340.13
IUPAC Name1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NCC(F)(F)F)nc2c1CCN(c1ncccn1)C2
InChIInChI=1S/C14H15F3N6O/c1-22-10-3-6-23(13-18-4-2-5-19-13)7-9(10)21-11(22)12(24)20-8-14(15,16)17/h2,4-5H,3,6-8H2,1H3,(H,20,24)
InChIKeyREMJQJOTWDKGAX-UHFFFAOYSA-N
XLogP1.06
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of 1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 97385223) is 1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for 1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for 1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is Cn1c(C(=O)NCC(F)(F)F)nc2c1CCN(c1ncccn1)C2.
What is the InChIKey of 1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is REMJQJOTWDKGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O/c1-22-10-3-6-23(13-18-4-2-5-19-13)7-9(10)21-11(22)12(24)20-8-14(15,16)17/h2,4-5H,3,6-8H2,1H3,(H,20,24).
What are the key properties of 1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 340.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 97385223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).