2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide;3-bromo-6-phenylmethoxypyridazine;tert-butyl 4-oxo-3-(6-phenylmethoxypyridazin-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide;3,6-dibromopyridazine;3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one;phenylmethanol

C95H112Br4F4N18O15 — CID 164978002

About 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide;3-bromo-6-phenylmethoxypyridazine;tert-butyl 4-oxo-3-(6-phenylmethoxypyridazin-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide;3,6-dibromopyridazine;3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one;phenylmethanol

2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide;3-bromo-6-phenylmethoxypyridazine;tert-butyl 4-oxo-3-(6-phenylmethoxypyridazin-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide;3,6-dibromopyridazine;3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one;phenylmethanol (PubChem CID 164978002) has the molecular formula C95H112Br4F4N18O15 and a molecular weight of 2141.66 g/mol. Its IUPAC name is 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide;3-bromo-6-phenylmethoxypyridazine;tert-butyl 4-oxo-3-(6-phenylmethoxypyridazin-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide;3,6-dibromopyridazine;3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one;phenylmethanol.

Molecular Properties

• Compound Name: 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide;3-bromo-6-phenylmethoxypyridazine;tert-butyl 4-oxo-3-(6-phenylmethoxypyridazin-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide;3,6-dibromopyridazine;3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one;phenylmethanol
• PubChem CID: 164978002
• Molecular Formula: C95H112Br4F4N18O15
• Molecular Weight: 2141.66 g/mol
• Exact Mass: 2136.52
• IUPAC Name: 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide;3-bromo-6-phenylmethoxypyridazine;tert-butyl 4-oxo-3-(6-phenylmethoxypyridazin-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide;3,6-dibromopyridazine;3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one;phenylmethanol
• SMILES: Brc1ccc(Br)nn1.Brc1ccc(OCc2ccccc2)nn1.CC(Br)C(=O)Nc1ccc(OCC2CC2)cn1.CC(C)(C)OC(=O)N1CCC(=O)C(c2ccc(OCc3ccccc3)nn2)C1.CC(C)(C)OC(=O)N1CCC(=O)CC1.C[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC(F)(F)[C@@H](c2ccc(=O)[nH]n2)C1.O=c1ccc(C2CNCCC2(F)F)n[nH]1.OCc1ccccc1
• InChI: InChI=1S/C21H25F2N5O3.C21H25N3O4.C12H15BrN2O2.C11H9BrN2O.C10H17NO3.C9H11F2N3O.C7H8O.C4H2Br2N2/c1-13(20(30)25-18-6-4-15(10-24-18)31-12-14-2-3-14)28-9-8-21(22,23)16(11-28)17-5-7-19(29)27-26-17;1-21(2,3)28-20(26)24-12-11-18(25)16(13-24)17-9-10-19(23-22-17)27-14-15-7-5-4-6-8-15;1-8(13)12(16)15-11-5-4-10(6-14-11)17-7-9-2-3-9;12-10-6-7-11(14-13-10)15-8-9-4-2-1-3-5-9;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;10-9(11)3-4-12-5-6(9)7-1-2-8(15)14-13-7;8-6-7-4-2-1-3-5-7;5-3-1-2-4(6)8-7-3/h4-7,10,13-14,16H,2-3,8-9,11-12H2,1H3,(H,27,29)(H,24,25,30);4-10,16H,11-14H2,1-3H3;4-6,8-9H,2-3,7H2,1H3,(H,14,15,16);1-7H,8H2;4-7H2,1-3H3;1-2,6,12H,3-5H2,(H,14,15);1-5,8H,6H2;1-2H/t13-,16+;;;;;;;/m0......./s1
• InChIKey: FBKKHVBOJNNHIF-UGGRVWLBSA-N
• XLogP: 16.41
• TPSA: 418.46 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2141.66
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide;3-bromo-6-phenylmethoxypyridazine;tert-butyl 4-oxo-3-(6-phenylmethoxypyridazin-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide;3,6-dibromopyridazine;3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one;phenylmethanol?

The IUPAC name of 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide;3-bromo-6-phenylmethoxypyridazine;tert-butyl 4-oxo-3-(6-phenylmethoxypyridazin-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide;3,6-dibromopyridazine;3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one;phenylmethanol (CID 164978002) is 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide;3-bromo-6-phenylmethoxypyridazine;tert-butyl 4-oxo-3-(6-phenylmethoxypyridazin-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide;3,6-dibromopyridazine;3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one;phenylmethanol.

What is the SMILES notation for 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide;3-bromo-6-phenylmethoxypyridazine;tert-butyl 4-oxo-3-(6-phenylmethoxypyridazin-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide;3,6-dibromopyridazine;3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one;phenylmethanol?

The canonical SMILES for 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide;3-bromo-6-phenylmethoxypyridazine;tert-butyl 4-oxo-3-(6-phenylmethoxypyridazin-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide;3,6-dibromopyridazine;3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one;phenylmethanol is Brc1ccc(Br)nn1.Brc1ccc(OCc2ccccc2)nn1.CC(Br)C(=O)Nc1ccc(OCC2CC2)cn1.CC(C)(C)OC(=O)N1CCC(=O)C(c2ccc(OCc3ccccc3)nn2)C1.CC(C)(C)OC(=O)N1CCC(=O)CC1.C[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC(F)(F)[C@@H](c2ccc(=O)[nH]n2)C1.O=c1ccc(C2CNCCC2(F)F)n[nH]1.OCc1ccccc1.

What is the InChIKey of 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide;3-bromo-6-phenylmethoxypyridazine;tert-butyl 4-oxo-3-(6-phenylmethoxypyridazin-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide;3,6-dibromopyridazine;3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one;phenylmethanol?

The InChIKey is FBKKHVBOJNNHIF-UGGRVWLBSA-N. The full InChI is InChI=1S/C21H25F2N5O3.C21H25N3O4.C12H15BrN2O2.C11H9BrN2O.C10H17NO3.C9H11F2N3O.C7H8O.C4H2Br2N2/c1-13(20(30)25-18-6-4-15(10-24-18)31-12-14-2-3-14)28-9-8-21(22,23)16(11-28)17-5-7-19(29)27-26-17;1-21(2,3)28-20(26)24-12-11-18(25)16(13-24)17-9-10-19(23-22-17)27-14-15-7-5-4-6-8-15;1-8(13)12(16)15-11-5-4-10(6-14-11)17-7-9-2-3-9;12-10-6-7-11(14-13-10)15-8-9-4-2-1-3-5-9;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;10-9(11)3-4-12-5-6(9)7-1-2-8(15)14-13-7;8-6-7-4-2-1-3-5-7;5-3-1-2-4(6)8-7-3/h4-7,10,13-14,16H,2-3,8-9,11-12H2,1H3,(H,27,29)(H,24,25,30);4-10,16H,11-14H2,1-3H3;4-6,8-9H,2-3,7H2,1H3,(H,14,15,16);1-7H,8H2;4-7H2,1-3H3;1-2,6,12H,3-5H2,(H,14,15);1-5,8H,6H2;1-2H/t13-,16+;;;;;;;/m0......./s1.

What are the key properties of 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide;3-bromo-6-phenylmethoxypyridazine;tert-butyl 4-oxo-3-(6-phenylmethoxypyridazin-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide;3,6-dibromopyridazine;3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one;phenylmethanol?

2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide;3-bromo-6-phenylmethoxypyridazine;tert-butyl 4-oxo-3-(6-phenylmethoxypyridazin-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide;3,6-dibromopyridazine;3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one;phenylmethanol has a molecular weight of 2141.66 g/mol, XLogP of 16.41, 21 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide;3-bromo-6-phenylmethoxypyridazine;tert-butyl 4-oxo-3-(6-phenylmethoxypyridazin-3-yl)piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide;3,6-dibromopyridazine;3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one;phenylmethanol is sourced from PubChem (CID 164978002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).