4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane

C73H80BBr2Cl2N17O7 — CID 165081547

About 4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane

4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane (PubChem CID 165081547) has the molecular formula C73H80BBr2Cl2N17O7 and a molecular weight of 1549.08 g/mol. Its IUPAC name is 4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane.

Molecular Properties

• Compound Name: 4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane
• PubChem CID: 165081547
• Molecular Formula: C73H80BBr2Cl2N17O7
• Molecular Weight: 1549.08 g/mol
• Exact Mass: 1545.43
• IUPAC Name: 4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane
• SMILES: C.C.C.CCOc1cc(-c2ccc(N3C[C@@H]4C(CNC(=O)c5ncccc5Cl)[C@@H]4C3)nc2)c2c(C#N)cnn2c1.CCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(C#N)cnn2c1.CCOc1cc(Br)c2c(C#N)cnn2c1.O=C(NCC1[C@H]2CN(c3ccc(Br)cn3)C[C@@H]12)c1ncccc1Cl
• InChI: InChI=1S/C27H24ClN7O2.C17H16BrClN4O.C16H20BN3O3.C10H8BrN3O.3CH4/c1-2-37-18-8-19(26-17(9-29)11-33-35(26)13-18)16-5-6-24(31-10-16)34-14-21-20(22(21)15-34)12-32-27(36)25-23(28)4-3-7-30-25;18-10-3-4-15(21-6-10)23-8-12-11(13(12)9-23)7-22-17(24)16-14(19)2-1-5-20-16;1-6-21-12-7-13(14-11(8-18)9-19-20(14)10-12)17-22-15(2,3)16(4,5)23-17;1-2-15-8-3-9(11)10-7(4-12)5-13-14(10)6-8;;;/h3-8,10-11,13,20-22H,2,12,14-15H2,1H3,(H,32,36);1-6,11-13H,7-9H2,(H,22,24);7,9-10H,6H2,1-5H3;3,5-6H,2H2,1H3;3*1H4/t20?,21-,22+;11?,12-,13+
• InChIKey: VFDFJCMUUTZYOT-XKPMRTMHSA-N
• XLogP: 13.01
• TPSA: 285.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1549.08
LogP ≤ 5	13.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane?

The IUPAC name of 4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane (CID 165081547) is 4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane.

What is the SMILES notation for 4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane?

The canonical SMILES for 4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane is C.C.C.CCOc1cc(-c2ccc(N3C[C@@H]4C(CNC(=O)c5ncccc5Cl)[C@@H]4C3)nc2)c2c(C#N)cnn2c1.CCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(C#N)cnn2c1.CCOc1cc(Br)c2c(C#N)cnn2c1.O=C(NCC1[C@H]2CN(c3ccc(Br)cn3)C[C@@H]12)c1ncccc1Cl.

What is the InChIKey of 4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane?

The InChIKey is VFDFJCMUUTZYOT-XKPMRTMHSA-N. The full InChI is InChI=1S/C27H24ClN7O2.C17H16BrClN4O.C16H20BN3O3.C10H8BrN3O.3CH4/c1-2-37-18-8-19(26-17(9-29)11-33-35(26)13-18)16-5-6-24(31-10-16)34-14-21-20(22(21)15-34)12-32-27(36)25-23(28)4-3-7-30-25;18-10-3-4-15(21-6-10)23-8-12-11(13(12)9-23)7-22-17(24)16-14(19)2-1-5-20-16;1-6-21-12-7-13(14-11(8-18)9-19-20(14)10-12)17-22-15(2,3)16(4,5)23-17;1-2-15-8-3-9(11)10-7(4-12)5-13-14(10)6-8;;;/h3-8,10-11,13,20-22H,2,12,14-15H2,1H3,(H,32,36);1-6,11-13H,7-9H2,(H,22,24);7,9-10H,6H2,1-5H3;3,5-6H,2H2,1H3;3*1H4/t20?,21-,22+;11?,12-,13+;;;;;.

What are the key properties of 4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane?

4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane has a molecular weight of 1549.08 g/mol, XLogP of 13.01, 16 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;N-[[(1S,5R)-3-(5-bromo-2-pyridinyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-chloropyridine-2-carboxamide;3-chloro-N-[[(1R,5S)-3-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexan-6-yl]methyl]pyridine-2-carboxamide;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane is sourced from PubChem (CID 165081547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).