4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide

C23H19ClFN5OS — CID 169251760

IUPAC4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide
SMILESO=C(NCc1cc(NSC2CC2)ccn1)c1ccc(-c2cnn3ccc(Cl)cc23)cc1F
InChIInChI=1S/C23H19ClFN5OS/c24-15-6-8-30-22(10-15)20(13-28-30)14-1-4-19(21(25)9-14)23(31)27-12-17-11-16(5-7-26-17)29-32-18-2-3-18/h1,4-11,13,18H,2-3,12H2,(H,26,29)(H,27,31)
InChIKeyIWUMOTJMZLYFRK-UHFFFAOYSA-N
MW467.96 g/mol
LogP5.34
Rot. Bonds7

About 4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide

4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide (PubChem CID 169251760) has the molecular formula C23H19ClFN5OS and a molecular weight of 467.96 g/mol. Its IUPAC name is 4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide
PubChem CID169251760
Molecular FormulaC23H19ClFN5OS
Molecular Weight467.96 g/mol
Exact Mass467.10
IUPAC Name4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide
SMILESO=C(NCc1cc(NSC2CC2)ccn1)c1ccc(-c2cnn3ccc(Cl)cc23)cc1F
InChIInChI=1S/C23H19ClFN5OS/c24-15-6-8-30-22(10-15)20(13-28-30)14-1-4-19(21(25)9-14)23(31)27-12-17-11-16(5-7-26-17)29-32-18-2-3-18/h1,4-11,13,18H,2-3,12H2,(H,26,29)(H,27,31)
InChIKeyIWUMOTJMZLYFRK-UHFFFAOYSA-N
XLogP5.34
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.96
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide?
The IUPAC name of 4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide (CID 169251760) is 4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide.
What is the SMILES notation for 4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide?
The canonical SMILES for 4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide is O=C(NCc1cc(NSC2CC2)ccn1)c1ccc(-c2cnn3ccc(Cl)cc23)cc1F.
What is the InChIKey of 4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide?
The InChIKey is IWUMOTJMZLYFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5OS/c24-15-6-8-30-22(10-15)20(13-28-30)14-1-4-19(21(25)9-14)23(31)27-12-17-11-16(5-7-26-17)29-32-18-2-3-18/h1,4-11,13,18H,2-3,12H2,(H,26,29)(H,27,31).
What are the key properties of 4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide?
4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide has a molecular weight of 467.96 g/mol, XLogP of 5.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-fluorobenzamide is sourced from PubChem (CID 169251760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).