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

C52H49F4IN10 — CID 158537830

IUPAC2-(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
SMILESFc1cccc(-c2cc3n(n2)CCCC3)c1.Fc1cccc(-c2cc3n(n2)CCNC3)c1.Fc1cccc(-c2nn3c(c2I)CCCC3)c1.[C-]#[N+]c1c(-c2cccc(F)c2)nn2c1CCCC2
InChIInChI=1S/C14H12FN3.C13H12FIN2.C13H13FN2.C12H12FN3/c1-16-14-12-7-2-3-8-18(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/h4-6,9H,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
InChIKeyHODSZFKYTHLSKE-UHFFFAOYSA-N
MW1016.93 g/mol
LogP12.02
Rot. Bonds4

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)-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 (PubChem CID 158537830) has the molecular formula C52H49F4IN10 and a molecular weight of 1016.93 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.

Molecular Properties

Compound Name2-(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
PubChem CID158537830
Molecular FormulaC52H49F4IN10
Molecular Weight1016.93 g/mol
Exact Mass1016.31
IUPAC Name2-(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
SMILESFc1cccc(-c2cc3n(n2)CCCC3)c1.Fc1cccc(-c2cc3n(n2)CCNC3)c1.Fc1cccc(-c2nn3c(c2I)CCCC3)c1.[C-]#[N+]c1c(-c2cccc(F)c2)nn2c1CCCC2
InChIInChI=1S/C14H12FN3.C13H12FIN2.C13H13FN2.C12H12FN3/c1-16-14-12-7-2-3-8-18(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/h4-6,9H,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
InChIKeyHODSZFKYTHLSKE-UHFFFAOYSA-N
XLogP12.02
TPSA87.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.93
LogP ≤ 512.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-(4-Fluorophenyl)-3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-3-isocyano-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;bis(2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine)
CID 157910030
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
N-[(3,5-difluoro-4-isocyano-2-pyridin-2-ylphenyl)methyl]-2-pyrazol-1-ylethanamine;N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine;2-[2,4-difluoro-6-[(2-pyrazol-1-ylethylamino)methyl]phenyl]-N,N-dimethylpyridin-4-amine;N-[(3,5-difluoro-2-pyridin-2-ylphenyl)methyl]-2-pyrazol-1-ylethanamine;methane
CID 160901163

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?
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 (CID 158537830) 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.
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?
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 is Fc1cccc(-c2cc3n(n2)CCCC3)c1.Fc1cccc(-c2cc3n(n2)CCNC3)c1.Fc1cccc(-c2nn3c(c2I)CCCC3)c1.[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?
The InChIKey is HODSZFKYTHLSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3.C13H12FIN2.C13H13FN2.C12H12FN3/c1-16-14-12-7-2-3-8-18(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/h4-6,9H,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)-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 has a molecular weight of 1016.93 g/mol, XLogP of 12.02, 4 rotatable bonds, 1 hydrogen bond donors, and 9 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 is sourced from PubChem (CID 158537830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).