N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid

C24H21F3N6O3 — CID 24759169

IUPACN-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#Cc1cnc(C(=O)Nc2ccc(-c3ccc(N)nc3)cc2C2=CCCCC2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H20N6O.C2HF3O2/c23-11-17-13-26-21(27-17)22(29)28-19-8-6-15(16-7-9-20(24)25-12-16)10-18(19)14-4-2-1-3-5-14;3-2(4,5)1(6)7/h4,6-10,12-13H,1-3,5H2,(H2,24,25)(H,26,27)(H,28,29);(H,6,7)
InChIKeyDQMLYCGFQRHLTH-UHFFFAOYSA-N
MW498.47 g/mol
LogP4.77
Rot. Bonds4

About N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid

N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 24759169) has the molecular formula C24H21F3N6O3 and a molecular weight of 498.47 g/mol. Its IUPAC name is N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID24759169
Molecular FormulaC24H21F3N6O3
Molecular Weight498.47 g/mol
Exact Mass498.16
IUPAC NameN-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESN#Cc1cnc(C(=O)Nc2ccc(-c3ccc(N)nc3)cc2C2=CCCCC2)[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H20N6O.C2HF3O2/c23-11-17-13-26-21(27-17)22(29)28-19-8-6-15(16-7-9-20(24)25-12-16)10-18(19)14-4-2-1-3-5-14;3-2(4,5)1(6)7/h4,6-10,12-13H,1-3,5H2,(H2,24,25)(H,26,27)(H,28,29);(H,6,7)
InChIKeyDQMLYCGFQRHLTH-UHFFFAOYSA-N
XLogP4.77
TPSA157.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 54.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 24759169) is N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid is N#Cc1cnc(C(=O)Nc2ccc(-c3ccc(N)nc3)cc2C2=CCCCC2)[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is DQMLYCGFQRHLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O.C2HF3O2/c23-11-17-13-26-21(27-17)22(29)28-19-8-6-15(16-7-9-20(24)25-12-16)10-18(19)14-4-2-1-3-5-14;3-2(4,5)1(6)7/h4,6-10,12-13H,1-3,5H2,(H2,24,25)(H,26,27)(H,28,29);(H,6,7).
What are the key properties of N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 498.47 g/mol, XLogP of 4.77, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-amino-3-pyridinyl)-2-(cyclohexen-1-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 24759169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).