N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride

C15H19Cl2F3N6O — CID 154894914

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C2NCCc3[nH]cnc32)n1.Cl.Cl
InChIInChI=1S/C15H17F3N6O.2ClH/c1-8-6-10(15(16,17)18)24-11(23-8)3-5-20-14(25)13-12-9(2-4-19-13)21-7-22-12;;/h6-7,13,19H,2-5H2,1H3,(H,20,25)(H,21,22);2*1H
InChIKeyJYWVPVMYWRVHHC-UHFFFAOYSA-N
MW427.26 g/mol
LogP1.92
Rot. Bonds4

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride (PubChem CID 154894914) has the molecular formula C15H19Cl2F3N6O and a molecular weight of 427.26 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride
PubChem CID154894914
Molecular FormulaC15H19Cl2F3N6O
Molecular Weight427.26 g/mol
Exact Mass426.09
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)C2NCCc3[nH]cnc32)n1.Cl.Cl
InChIInChI=1S/C15H17F3N6O.2ClH/c1-8-6-10(15(16,17)18)24-11(23-8)3-5-20-14(25)13-12-9(2-4-19-13)21-7-22-12;;/h6-7,13,19H,2-5H2,1H3,(H,20,25)(H,21,22);2*1H
InChIKeyJYWVPVMYWRVHHC-UHFFFAOYSA-N
XLogP1.92
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.26
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride (CID 154894914) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride is Cc1cc(C(F)(F)F)nc(CCNC(=O)C2NCCc3[nH]cnc32)n1.Cl.Cl.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is JYWVPVMYWRVHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N6O.2ClH/c1-8-6-10(15(16,17)18)24-11(23-8)3-5-20-14(25)13-12-9(2-4-19-13)21-7-22-12;;/h6-7,13,19H,2-5H2,1H3,(H,20,25)(H,21,22);2*1H.
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 427.26 g/mol, XLogP of 1.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 154894914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).