N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide

C21H25FN8O — CID 54756128

IUPACN-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide
SMILESCc1cc(-c2cnc(C(=O)Nc3cccc(F)c3N3CCC(CN)CC3)[nH]2)nc(N)n1
InChIInChI=1S/C21H25FN8O/c1-12-9-16(29-21(24)26-12)17-11-25-19(27-17)20(31)28-15-4-2-3-14(22)18(15)30-7-5-13(10-23)6-8-30/h2-4,9,11,13H,5-8,10,23H2,1H3,(H,25,27)(H,28,31)(H2,24,26,29)
InChIKeyVIOBGNGCMCPMAK-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.32
Rot. Bonds5

About N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide

N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide (PubChem CID 54756128) has the molecular formula C21H25FN8O and a molecular weight of 424.48 g/mol. Its IUPAC name is N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide
PubChem CID54756128
Molecular FormulaC21H25FN8O
Molecular Weight424.48 g/mol
Exact Mass424.21
IUPAC NameN-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide
SMILESCc1cc(-c2cnc(C(=O)Nc3cccc(F)c3N3CCC(CN)CC3)[nH]2)nc(N)n1
InChIInChI=1S/C21H25FN8O/c1-12-9-16(29-21(24)26-12)17-11-25-19(27-17)20(31)28-15-4-2-3-14(22)18(15)30-7-5-13(10-23)6-8-30/h2-4,9,11,13H,5-8,10,23H2,1H3,(H,25,27)(H,28,31)(H2,24,26,29)
InChIKeyVIOBGNGCMCPMAK-UHFFFAOYSA-N
XLogP2.32
TPSA138.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide with MolForge

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Related Compounds

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CID 44578693
5-Fluoro-2-(4-((2-phenyl-1H-imidazol-5-yl)methyl)-1-piperazinyl)pyrimidine
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CID 10300585
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2-(N-methylanilino)-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]ethanone
CID 10691006
2-[4-(5-Methyl-2-phenyl-3H-imidazol-4-ylmethyl)-piperazin-1-yl]-pyrimidine
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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide?
The IUPAC name of N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide (CID 54756128) is N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide is Cc1cc(-c2cnc(C(=O)Nc3cccc(F)c3N3CCC(CN)CC3)[nH]2)nc(N)n1.
What is the InChIKey of N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide?
The InChIKey is VIOBGNGCMCPMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN8O/c1-12-9-16(29-21(24)26-12)17-11-25-19(27-17)20(31)28-15-4-2-3-14(22)18(15)30-7-5-13(10-23)6-8-30/h2-4,9,11,13H,5-8,10,23H2,1H3,(H,25,27)(H,28,31)(H2,24,26,29).
What are the key properties of N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide?
N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.32, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(aminomethyl)piperidin-1-yl]-3-fluorophenyl]-5-(2-amino-6-methylpyrimidin-4-yl)-1H-imidazole-2-carboxamide is sourced from PubChem (CID 54756128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).