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

C21H17Cl2N5O2 — CID 122457322

IUPAC4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cncc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)c1
InChIInChI=1S/C21H17Cl2N5O2/c1-12-18-19(23)17(21(29)26-15-5-3-14(22)4-6-15)10-25-20(18)28(27-12)11-13-7-16(30-2)9-24-8-13/h3-10H,11H2,1-2H3,(H,26,29)
InChIKeyPPFNDVANTKENIM-UHFFFAOYSA-N
MW442.31 g/mol
LogP4.75
Rot. Bonds5

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

4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 122457322) has the molecular formula C21H17Cl2N5O2 and a molecular weight of 442.31 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID122457322
Molecular FormulaC21H17Cl2N5O2
Molecular Weight442.31 g/mol
Exact Mass441.08
IUPAC Name4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cncc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)c1
InChIInChI=1S/C21H17Cl2N5O2/c1-12-18-19(23)17(21(29)26-15-5-3-14(22)4-6-15)10-25-20(18)28(27-12)11-13-7-16(30-2)9-24-8-13/h3-10H,11H2,1-2H3,(H,26,29)
InChIKeyPPFNDVANTKENIM-UHFFFAOYSA-N
XLogP4.75
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.31
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 122457322) is 4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is COc1cncc(Cn2nc(C)c3c(Cl)c(C(=O)Nc4ccc(Cl)cc4)cnc32)c1.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is PPFNDVANTKENIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5O2/c1-12-18-19(23)17(21(29)26-15-5-3-14(22)4-6-15)10-25-20(18)28(27-12)11-13-7-16(30-2)9-24-8-13/h3-10H,11H2,1-2H3,(H,26,29).
What are the key properties of 4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 442.31 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-1-[(5-methoxy-3-pyridinyl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 122457322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).