cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C82H73ClN18O10S — CID 165015861

About cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 165015861) has the molecular formula C82H73ClN18O10S and a molecular weight of 1538.12 g/mol. Its IUPAC name is cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• PubChem CID: 165015861
• Molecular Formula: C82H73ClN18O10S
• Molecular Weight: 1538.12 g/mol
• Exact Mass: 1536.52
• IUPAC Name: cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
• SMILES: COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cc(-n3ccc(C)n3)ccn1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cc(-n4ccc(C)n4)ccn3)cc12.COC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cc(-n4ccc(C)n4)ccn3)cc12.O=C(Cl)C1CC1
• InChI: InChI=1S/C38H32N6O4S.C22H20N6O3.C18H16N6O2.C4H5ClO/c1-27-19-21-43(41-27)30-18-20-39-34(22-30)35-23-32-33(38(45)48-2)24-40-37(36(32)44(35)49(46,47)31-16-10-5-11-17-31)42(25-28-12-6-3-7-13-28)26-29-14-8-4-9-15-29;1-12-6-8-28(27-12)14-5-7-23-17(9-14)18-10-15-16(22(30)31-2)11-24-20(19(15)25-18)26-21(29)13-3-4-13;1-10-4-6-24(23-10)11-3-5-20-14(7-11)15-8-12-13(18(25)26-2)9-21-17(19)16(12)22-15;5-4(6)3-1-2-3/h3-24H,25-26H2,1-2H3;5-11,13,25H,3-4H2,1-2H3,(H,24,26,29);3-9,22H,1-2H3,(H2,19,21);3H,1-2H2
• InChIKey: KKCVNEHACPPSSI-UHFFFAOYSA-N
• XLogP: 13.73
• TPSA: 355.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1538.12
LogP ≤ 5	13.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The IUPAC name of cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 165015861) is cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

What is the SMILES notation for cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The canonical SMILES for cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cc(-n3ccc(C)n3)ccn1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cc(-n4ccc(C)n4)ccn3)cc12.COC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cc(-n4ccc(C)n4)ccn3)cc12.O=C(Cl)C1CC1.

What is the InChIKey of cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

The InChIKey is KKCVNEHACPPSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N6O4S.C22H20N6O3.C18H16N6O2.C4H5ClO/c1-27-19-21-43(41-27)30-18-20-39-34(22-30)35-23-32-33(38(45)48-2)24-40-37(36(32)44(35)49(46,47)31-16-10-5-11-17-31)42(25-28-12-6-3-7-13-28)26-29-14-8-4-9-15-29;1-12-6-8-28(27-12)14-5-7-23-17(9-14)18-10-15-16(22(30)31-2)11-24-20(19(15)25-18)26-21(29)13-3-4-13;1-10-4-6-24(23-10)11-3-5-20-14(7-11)15-8-12-13(18(25)26-2)9-21-17(19)16(12)22-15;5-4(6)3-1-2-3/h3-24H,25-26H2,1-2H3;5-11,13,25H,3-4H2,1-2H3,(H,24,26,29);3-9,22H,1-2H3,(H2,19,21);3H,1-2H2.

What are the key properties of cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?

cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 1538.12 g/mol, XLogP of 13.73, 19 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[4-(3-methylpyrazol-1-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 165015861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).