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

C22H23F4N5O2 — CID 134323618

IUPACN-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)cc3)n2)C(F)(F)F)[nH]1
InChIInChI=1S/C22H23F4N5O2/c1-12-28-10-17(30-12)19(32)29-11-21(33,22(24,25)26)18-9-14(20(2,3)27)8-16(31-18)13-4-6-15(23)7-5-13/h4-10,33H,11,27H2,1-3H3,(H,28,30)(H,29,32)
InChIKeyWHEVXYZHRKKPEV-UHFFFAOYSA-N
MW465.45 g/mol
LogP3.29
Rot. Bonds6

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

N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-methyl-1H-imidazole-5-carboxamide (PubChem CID 134323618) has the molecular formula C22H23F4N5O2 and a molecular weight of 465.45 g/mol. Its IUPAC name is N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-methyl-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]-2-methyl-1H-imidazole-5-carboxamide
PubChem CID134323618
Molecular FormulaC22H23F4N5O2
Molecular Weight465.45 g/mol
Exact Mass465.18
IUPAC NameN-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-methyl-1H-imidazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)cc3)n2)C(F)(F)F)[nH]1
InChIInChI=1S/C22H23F4N5O2/c1-12-28-10-17(30-12)19(32)29-11-21(33,22(24,25)26)18-9-14(20(2,3)27)8-16(31-18)13-4-6-15(23)7-5-13/h4-10,33H,11,27H2,1-3H3,(H,28,30)(H,29,32)
InChIKeyWHEVXYZHRKKPEV-UHFFFAOYSA-N
XLogP3.29
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 53.29
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]-2-methyl-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]-2-methyl-1H-imidazole-5-carboxamide (CID 134323618) is N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-methyl-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]-2-methyl-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]-2-methyl-1H-imidazole-5-carboxamide is Cc1ncc(C(=O)NCC(O)(c2cc(C(C)(C)N)cc(-c3ccc(F)cc3)n2)C(F)(F)F)[nH]1.
What is the InChIKey of N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-methyl-1H-imidazole-5-carboxamide?
The InChIKey is WHEVXYZHRKKPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N5O2/c1-12-28-10-17(30-12)19(32)29-11-21(33,22(24,25)26)18-9-14(20(2,3)27)8-16(31-18)13-4-6-15(23)7-5-13/h4-10,33H,11,27H2,1-3H3,(H,28,30)(H,29,32).
What are the key properties of N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-methyl-1H-imidazole-5-carboxamide?
N-[2-[4-(2-aminopropan-2-yl)-6-(4-fluorophenyl)-2-pyridinyl]-3,3,3-trifluoro-2-hydroxypropyl]-2-methyl-1H-imidazole-5-carboxamide has a molecular weight of 465.45 g/mol, XLogP of 3.29, 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]-2-methyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 134323618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).