N-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide

C24H26F3N5O4 — CID 129112985

IUPACN-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide
SMILESCNc1nc(Oc2cccc(OC(F)(F)F)c2)n(Cc2ccc(C)cn2)c1C(=O)NCCC1(O)CC1
InChIInChI=1S/C24H26F3N5O4/c1-15-6-7-16(30-13-15)14-32-19(21(33)29-11-10-23(34)8-9-23)20(28-2)31-22(32)35-17-4-3-5-18(12-17)36-24(25,26)27/h3-7,12-13,28,34H,8-11,14H2,1-2H3,(H,29,33)
InChIKeyWNYFXLDENDIRKZ-UHFFFAOYSA-N
MW505.50 g/mol
LogP4.01
Rot. Bonds10

About N-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide

N-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide (PubChem CID 129112985) has the molecular formula C24H26F3N5O4 and a molecular weight of 505.50 g/mol. Its IUPAC name is N-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide
PubChem CID129112985
Molecular FormulaC24H26F3N5O4
Molecular Weight505.50 g/mol
Exact Mass505.19
IUPAC NameN-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide
SMILESCNc1nc(Oc2cccc(OC(F)(F)F)c2)n(Cc2ccc(C)cn2)c1C(=O)NCCC1(O)CC1
InChIInChI=1S/C24H26F3N5O4/c1-15-6-7-16(30-13-15)14-32-19(21(33)29-11-10-23(34)8-9-23)20(28-2)31-22(32)35-17-4-3-5-18(12-17)36-24(25,26)27/h3-7,12-13,28,34H,8-11,14H2,1-2H3,(H,29,33)
InChIKeyWNYFXLDENDIRKZ-UHFFFAOYSA-N
XLogP4.01
TPSA110.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.50
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide?
The IUPAC name of N-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide (CID 129112985) is N-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide.
What is the SMILES notation for N-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide?
The canonical SMILES for N-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide is CNc1nc(Oc2cccc(OC(F)(F)F)c2)n(Cc2ccc(C)cn2)c1C(=O)NCCC1(O)CC1.
What is the InChIKey of N-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide?
The InChIKey is WNYFXLDENDIRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O4/c1-15-6-7-16(30-13-15)14-32-19(21(33)29-11-10-23(34)8-9-23)20(28-2)31-22(32)35-17-4-3-5-18(12-17)36-24(25,26)27/h3-7,12-13,28,34H,8-11,14H2,1-2H3,(H,29,33).
What are the key properties of N-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide?
N-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide has a molecular weight of 505.50 g/mol, XLogP of 4.01, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxycyclopropyl)ethyl]-5-(methylamino)-3-[(5-methyl-2-pyridinyl)methyl]-2-[3-(trifluoromethoxy)phenoxy]imidazole-4-carboxamide is sourced from PubChem (CID 129112985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).