3-bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine

C59H58Br2F2N16 — CID 157079343

About 3-bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine

3-bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine (PubChem CID 157079343) has the molecular formula C59H58Br2F2N16 and a molecular weight of 1189.03 g/mol. Its IUPAC name is 3-bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 3-bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine
• PubChem CID: 157079343
• Molecular Formula: C59H58Br2F2N16
• Molecular Weight: 1189.03 g/mol
• Exact Mass: 1186.34
• IUPAC Name: 3-bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine
• SMILES: Brc1cccn2nccc12.[C-]#[N+]C1(C)CCN(c2cccn3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)c23)CC1.[C-]#[N+]C1(C)CCN(c2cccn3ncc(Br)c23)CC1.[C-]#[N+]C1(C)CCN(c2cccn3nccc23)CC1
• InChI: InChI=1S/C24H22F2N6.C14H15BrN4.C14H16N4.C7H5BrN2/c1-24(27-2)9-12-30(13-10-24)21-4-3-11-31-22(21)20(15-29-31)18-7-5-17(6-8-18)19-14-28-32(16-19)23(25)26;1-14(16-2)5-8-18(9-6-14)12-4-3-7-19-13(12)11(15)10-17-19;1-14(15-2)6-10-17(11-7-14)12-4-3-9-18-13(12)5-8-16-18;8-6-2-1-5-10-7(6)3-4-9-10/h3-8,11,14-16,23H,9-10,12-13H2,1H3;3-4,7,10H,5-6,8-9H2,1H3;3-5,8-9H,6-7,10-11H2,1H3;1-5H
• InChIKey: ADIPSAAHIZKAOL-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 109.82 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1189.03
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine?

The IUPAC name of 3-bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine (CID 157079343) is 3-bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine.

What is the SMILES notation for 3-bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine?

The canonical SMILES for 3-bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine is Brc1cccn2nccc12.[C-]#[N+]C1(C)CCN(c2cccn3ncc(-c4ccc(-c5cnn(C(F)F)c5)cc4)c23)CC1.[C-]#[N+]C1(C)CCN(c2cccn3ncc(Br)c23)CC1.[C-]#[N+]C1(C)CCN(c2cccn3nccc23)CC1.

What is the InChIKey of 3-bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine?

The InChIKey is ADIPSAAHIZKAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6.C14H15BrN4.C14H16N4.C7H5BrN2/c1-24(27-2)9-12-30(13-10-24)21-4-3-11-31-22(21)20(15-29-31)18-7-5-17(6-8-18)19-14-28-32(16-19)23(25)26;1-14(16-2)5-8-18(9-6-14)12-4-3-7-19-13(12)11(15)10-17-19;1-14(15-2)6-10-17(11-7-14)12-4-3-9-18-13(12)5-8-16-18;8-6-2-1-5-10-7(6)3-4-9-10/h3-8,11,14-16,23H,9-10,12-13H2,1H3;3-4,7,10H,5-6,8-9H2,1H3;3-5,8-9H,6-7,10-11H2,1H3;1-5H.

What are the key properties of 3-bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine?

3-bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 1189.03 g/mol, XLogP of 13.62, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-bromopyrazolo[1,5-a]pyridine;3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]-4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine;4-(4-isocyano-4-methylpiperidin-1-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 157079343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).