2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C66H63F5IN13O — CID 158539238

About 2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 158539238) has the molecular formula C66H63F5IN13O and a molecular weight of 1276.21 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 158539238
• Molecular Formula: C66H63F5IN13O
• Molecular Weight: 1276.21 g/mol
• Exact Mass: 1275.42
• IUPAC Name: 2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: Fc1cccc(-c2cc3n(n2)CCCC3)c1.Fc1cccc(-c2cc3n(n2)CCNC3)c1.Fc1cccc(-c2nn3c(c2I)CCCC3)c1.NC(=O)c1c(-c2cccc(F)c2)nn2c1CCCC2.[C-]#[N+]c1c(-c2cccc(F)c2)nn2c1CCCC2
• InChI: InChI=1S/C14H14FN3O.C14H12FN3.C13H12FIN2.C13H13FN2.C12H12FN3/c15-10-5-3-4-9(8-10)13-12(14(16)19)11-6-1-2-7-18(11)17-13;1-16-14-12-7-2-3-8-18(12)17-13(14)10-5-4-6-11(15)9-10;14-10-5-3-4-9(8-10)13-12(15)11-6-1-2-7-17(11)16-13;14-11-5-3-4-10(8-11)13-9-12-6-1-2-7-16(12)15-13;13-10-3-1-2-9(6-10)12-7-11-8-14-4-5-16(11)15-12/h3-5,8H,1-2,6-7H2,(H2,16,19);4-6,9H,2-3,7-8H2;3-5,8H,1-2,6-7H2;3-5,8-9H,1-2,6-7H2;1-3,6-7,14H,4-5,8H2
• InChIKey: HOHWVSLSAVSLBC-UHFFFAOYSA-N
• XLogP: 14.15
• TPSA: 148.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1276.21
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of 2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 158539238) is 2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for 2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for 2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is Fc1cccc(-c2cc3n(n2)CCCC3)c1.Fc1cccc(-c2cc3n(n2)CCNC3)c1.Fc1cccc(-c2nn3c(c2I)CCCC3)c1.NC(=O)c1c(-c2cccc(F)c2)nn2c1CCCC2.[C-]#[N+]c1c(-c2cccc(F)c2)nn2c1CCCC2.

What is the InChIKey of 2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is HOHWVSLSAVSLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O.C14H12FN3.C13H12FIN2.C13H13FN2.C12H12FN3/c15-10-5-3-4-9(8-10)13-12(14(16)19)11-6-1-2-7-18(11)17-13;1-16-14-12-7-2-3-8-18(12)17-13(14)10-5-4-6-11(15)9-10;14-10-5-3-4-9(8-10)13-12(15)11-6-1-2-7-17(11)16-13;14-11-5-3-4-10(8-11)13-9-12-6-1-2-7-16(12)15-13;13-10-3-1-2-9(6-10)12-7-11-8-14-4-5-16(11)15-12/h3-5,8H,1-2,6-7H2,(H2,16,19);4-6,9H,2-3,7-8H2;3-5,8H,1-2,6-7H2;3-5,8-9H,1-2,6-7H2;1-3,6-7,14H,4-5,8H2.

What are the key properties of 2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 1276.21 g/mol, XLogP of 14.15, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 158539238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).