N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

C20H23FN4O2 — CID 138031660

IUPACN-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C20H23FN4O2/c21-16-5-3-14(4-6-16)19-15(9-12-27-19)13-22-20(26)17-7-8-18(24-23-17)25-10-1-2-11-25/h3-8,15,19H,1-2,9-13H2,(H,22,26)/t15-,19-/m0/s1
InChIKeyZWNZUZAKUZMGKZ-KXBFYZLASA-N
MW370.43 g/mol
LogP2.72
Rot. Bonds5

About N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide

N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (PubChem CID 138031660) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
PubChem CID138031660
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C20H23FN4O2/c21-16-5-3-14(4-6-16)19-15(9-12-27-19)13-22-20(26)17-7-8-18(24-23-17)25-10-1-2-11-25/h3-8,15,19H,1-2,9-13H2,(H,22,26)/t15-,19-/m0/s1
InChIKeyZWNZUZAKUZMGKZ-KXBFYZLASA-N
XLogP2.72
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
3-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120701748
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384
6-[[(2S,3R)-2-phenyloxolan-3-yl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 120701779
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109116479
3-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylcarbamoyl]-5-nitrobenzoic acid
CID 120701750
(2S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129489587
N-(2-cyclohexyl-3-hydroxypropyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 126806538
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109112480
6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120839
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115022

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide (CID 138031660) is N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1ccc(N2CCCC2)nn1.
What is the InChIKey of N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
The InChIKey is ZWNZUZAKUZMGKZ-KXBFYZLASA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-16-5-3-14(4-6-16)19-15(9-12-27-19)13-22-20(26)17-7-8-18(24-23-17)25-10-1-2-11-25/h3-8,15,19H,1-2,9-13H2,(H,22,26)/t15-,19-/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide?
N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 138031660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).