tert-butyl 6-chloro-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;5-methyl-1H-pyrazole;4-[6-(3-methylpyrazol-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine

C55H74ClN15O7 — CID 157300056

About tert-butyl 6-chloro-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;5-methyl-1H-pyrazole;4-[6-(3-methylpyrazol-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine

tert-butyl 6-chloro-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;5-methyl-1H-pyrazole;4-[6-(3-methylpyrazol-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine (PubChem CID 157300056) has the molecular formula C55H74ClN15O7 and a molecular weight of 1092.75 g/mol. Its IUPAC name is tert-butyl 6-chloro-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;5-methyl-1H-pyrazole;4-[6-(3-methylpyrazol-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine.

Molecular Properties

• Compound Name: tert-butyl 6-chloro-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;5-methyl-1H-pyrazole;4-[6-(3-methylpyrazol-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine
• PubChem CID: 157300056
• Molecular Formula: C55H74ClN15O7
• Molecular Weight: 1092.75 g/mol
• Exact Mass: 1091.56
• IUPAC Name: tert-butyl 6-chloro-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;5-methyl-1H-pyrazole;4-[6-(3-methylpyrazol-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine
• SMILES: CC(C)(C)OC(=O)N1CCc2c1cc(Cl)nc2N1CCOCC1.Cc1ccn(-c2cc3c(c(N4CCOCC4)n2)CCN3)n1.Cc1ccn(-c2cc3c(c(N4CCOCC4)n2)CCN3C(=O)OC(C)(C)C)n1.Cc1ccn[nH]1
• InChI: InChI=1S/C20H27N5O3.C16H22ClN3O3.C15H19N5O.C4H6N2/c1-14-5-8-25(22-14)17-13-16-15(18(21-17)23-9-11-27-12-10-23)6-7-24(16)19(26)28-20(2,3)4;1-16(2,3)23-15(21)20-5-4-11-12(20)10-13(17)18-14(11)19-6-8-22-9-7-19;1-11-3-5-20(18-11)14-10-13-12(2-4-16-13)15(17-14)19-6-8-21-9-7-19;1-4-2-3-5-6-4/h5,8,13H,6-7,9-12H2,1-4H3;10H,4-9H2,1-3H3;3,5,10,16H,2,4,6-9H2,1H3;2-3H,1H3,(H,5,6)
• InChIKey: BBUGLUNOPBPDQC-UHFFFAOYSA-N
• XLogP: 7.68
• TPSA: 211.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 5
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1092.75
LogP ≤ 5	7.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-chloro-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;5-methyl-1H-pyrazole;4-[6-(3-methylpyrazol-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine?

The IUPAC name of tert-butyl 6-chloro-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;5-methyl-1H-pyrazole;4-[6-(3-methylpyrazol-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine (CID 157300056) is tert-butyl 6-chloro-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;5-methyl-1H-pyrazole;4-[6-(3-methylpyrazol-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine.

What is the SMILES notation for tert-butyl 6-chloro-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;5-methyl-1H-pyrazole;4-[6-(3-methylpyrazol-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine?

The canonical SMILES for tert-butyl 6-chloro-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;5-methyl-1H-pyrazole;4-[6-(3-methylpyrazol-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine is CC(C)(C)OC(=O)N1CCc2c1cc(Cl)nc2N1CCOCC1.Cc1ccn(-c2cc3c(c(N4CCOCC4)n2)CCN3)n1.Cc1ccn(-c2cc3c(c(N4CCOCC4)n2)CCN3C(=O)OC(C)(C)C)n1.Cc1ccn[nH]1.

What is the InChIKey of tert-butyl 6-chloro-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;5-methyl-1H-pyrazole;4-[6-(3-methylpyrazol-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine?

The InChIKey is BBUGLUNOPBPDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3.C16H22ClN3O3.C15H19N5O.C4H6N2/c1-14-5-8-25(22-14)17-13-16-15(18(21-17)23-9-11-27-12-10-23)6-7-24(16)19(26)28-20(2,3)4;1-16(2,3)23-15(21)20-5-4-11-12(20)10-13(17)18-14(11)19-6-8-22-9-7-19;1-11-3-5-20(18-11)14-10-13-12(2-4-16-13)15(17-14)19-6-8-21-9-7-19;1-4-2-3-5-6-4/h5,8,13H,6-7,9-12H2,1-4H3;10H,4-9H2,1-3H3;3,5,10,16H,2,4,6-9H2,1H3;2-3H,1H3,(H,5,6).

What are the key properties of tert-butyl 6-chloro-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;5-methyl-1H-pyrazole;4-[6-(3-methylpyrazol-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine?

tert-butyl 6-chloro-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;5-methyl-1H-pyrazole;4-[6-(3-methylpyrazol-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine has a molecular weight of 1092.75 g/mol, XLogP of 7.68, 5 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 6-chloro-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;tert-butyl 6-(3-methylpyrazol-1-yl)-4-morpholin-4-yl-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate;5-methyl-1H-pyrazole;4-[6-(3-methylpyrazol-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-4-yl]morpholine is sourced from PubChem (CID 157300056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).