N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide

C20H21FN6O — CID 95102212

IUPACN-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
SMILESC[C@H]1CCCCN1c1cc(-n2cnc(C(=O)Nc3ccc(F)cc3)c2)ncn1
InChIInChI=1S/C20H21FN6O/c1-14-4-2-3-9-27(14)19-10-18(22-12-23-19)26-11-17(24-13-26)20(28)25-16-7-5-15(21)6-8-16/h5-8,10-14H,2-4,9H2,1H3,(H,25,28)/t14-/m0/s1
InChIKeyYTXBMUPXYWVNFO-AWEZNQCLSA-N
MW380.43 g/mol
LogP3.43
Rot. Bonds4

About N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide

N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide (PubChem CID 95102212) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
PubChem CID95102212
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC NameN-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide
SMILESC[C@H]1CCCCN1c1cc(-n2cnc(C(=O)Nc3ccc(F)cc3)c2)ncn1
InChIInChI=1S/C20H21FN6O/c1-14-4-2-3-9-27(14)19-10-18(22-12-23-19)26-11-17(24-13-26)20(28)25-16-7-5-15(21)6-8-16/h5-8,10-14H,2-4,9H2,1H3,(H,25,28)/t14-/m0/s1
InChIKeyYTXBMUPXYWVNFO-AWEZNQCLSA-N
XLogP3.43
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide (CID 95102212) is N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide is C[C@H]1CCCCN1c1cc(-n2cnc(C(=O)Nc3ccc(F)cc3)c2)ncn1.
What is the InChIKey of N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide?
The InChIKey is YTXBMUPXYWVNFO-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21FN6O/c1-14-4-2-3-9-27(14)19-10-18(22-12-23-19)26-11-17(24-13-26)20(28)25-16-7-5-15(21)6-8-16/h5-8,10-14H,2-4,9H2,1H3,(H,25,28)/t14-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide?
N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazole-4-carboxamide is sourced from PubChem (CID 95102212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).