N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide

C21H21F4N5O2 — CID 134323227

IUPACN-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide
SMILESCC(C)(N)c1cc(-c2ccc(F)cc2)nc(C(O)(CNC(=O)c2cnc[nH]2)C(F)(F)F)c1
InChIInChI=1S/C21H21F4N5O2/c1-19(2,26)13-7-15(12-3-5-14(22)6-4-12)30-17(8-13)20(32,21(23,24)25)10-28-18(31)16-9-27-11-29-16/h3-9,11,32H,10,26H2,1-2H3,(H,27,29)(H,28,31)
InChIKeyPYHFEUMGGIHWRO-UHFFFAOYSA-N
MW451.42 g/mol
LogP2.98
Rot. Bonds6

About N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide

N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide (PubChem CID 134323227) has the molecular formula C21H21F4N5O2 and a molecular weight of 451.42 g/mol. Its IUPAC name is N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide
PubChem CID134323227
Molecular FormulaC21H21F4N5O2
Molecular Weight451.42 g/mol
Exact Mass451.16
IUPAC NameN-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide
SMILESCC(C)(N)c1cc(-c2ccc(F)cc2)nc(C(O)(CNC(=O)c2cnc[nH]2)C(F)(F)F)c1
InChIInChI=1S/C21H21F4N5O2/c1-19(2,26)13-7-15(12-3-5-14(22)6-4-12)30-17(8-13)20(32,21(23,24)25)10-28-18(31)16-9-27-11-29-16/h3-9,11,32H,10,26H2,1-2H3,(H,27,29)(H,28,31)
InChIKeyPYHFEUMGGIHWRO-UHFFFAOYSA-N
XLogP2.98
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.42
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide (CID 134323227) is N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide is CC(C)(N)c1cc(-c2ccc(F)cc2)nc(C(O)(CNC(=O)c2cnc[nH]2)C(F)(F)F)c1.
What is the InChIKey of N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide?
The InChIKey is PYHFEUMGGIHWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F4N5O2/c1-19(2,26)13-7-15(12-3-5-14(22)6-4-12)30-17(8-13)20(32,21(23,24)25)10-28-18(31)16-9-27-11-29-16/h3-9,11,32H,10,26H2,1-2H3,(H,27,29)(H,28,31).
What are the key properties of N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide?
N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide has a molecular weight of 451.42 g/mol, XLogP of 2.98, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 134323227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).