4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C20H14Cl2FN5O — CID 122455403

IUPAC4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(Cc2ccc(F)cn2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
InChIInChI=1S/C20H14Cl2FN5O/c1-11-17-18(22)16(20(29)26-14-5-2-12(21)3-6-14)9-25-19(17)28(27-11)10-15-7-4-13(23)8-24-15/h2-9H,10H2,1H3,(H,26,29)
InChIKeySOXQPZATVYULLZ-UHFFFAOYSA-N
MW430.27 g/mol
LogP4.88
Rot. Bonds4

About 4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 122455403) has the molecular formula C20H14Cl2FN5O and a molecular weight of 430.27 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID122455403
Molecular FormulaC20H14Cl2FN5O
Molecular Weight430.27 g/mol
Exact Mass429.06
IUPAC Name4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nn(Cc2ccc(F)cn2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
InChIInChI=1S/C20H14Cl2FN5O/c1-11-17-18(22)16(20(29)26-14-5-2-12(21)3-6-14)9-25-19(17)28(27-11)10-15-7-4-13(23)8-24-15/h2-9H,10H2,1H3,(H,26,29)
InChIKeySOXQPZATVYULLZ-UHFFFAOYSA-N
XLogP4.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.27
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 122455403) is 4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(Cc2ccc(F)cn2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is SOXQPZATVYULLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2FN5O/c1-11-17-18(22)16(20(29)26-14-5-2-12(21)3-6-14)9-25-19(17)28(27-11)10-15-7-4-13(23)8-24-15/h2-9H,10H2,1H3,(H,26,29).
What are the key properties of 4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 430.27 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 122455403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).