N-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C16H16FN5O2 — CID 164635755

IUPACN-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)N[C@H](c2ccc(F)cc2)c2ncc[nH]2)CCC1=O
InChIInChI=1S/C16H16FN5O2/c1-22-13(23)7-6-12(21-22)16(24)20-14(15-18-8-9-19-15)10-2-4-11(17)5-3-10/h2-5,8-9,14H,6-7H2,1H3,(H,18,19)(H,20,24)/t14-/m1/s1
InChIKeyNSKCTWPTBBWEKV-CQSZACIVSA-N
MW329.34 g/mol
LogP1.36
Rot. Bonds4

About N-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 164635755) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID164635755
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC NameN-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)N[C@H](c2ccc(F)cc2)c2ncc[nH]2)CCC1=O
InChIInChI=1S/C16H16FN5O2/c1-22-13(23)7-6-12(21-22)16(24)20-14(15-18-8-9-19-15)10-2-4-11(17)5-3-10/h2-5,8-9,14H,6-7H2,1H3,(H,18,19)(H,20,24)/t14-/m1/s1
InChIKeyNSKCTWPTBBWEKV-CQSZACIVSA-N
XLogP1.36
TPSA90.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 164635755) is N-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)N[C@H](c2ccc(F)cc2)c2ncc[nH]2)CCC1=O.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is NSKCTWPTBBWEKV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-22-13(23)7-6-12(21-22)16(24)20-14(15-18-8-9-19-15)10-2-4-11(17)5-3-10/h2-5,8-9,14H,6-7H2,1H3,(H,18,19)(H,20,24)/t14-/m1/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 329.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-(1H-imidazol-2-yl)methyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 164635755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).