1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide

C25H27N7 — CID 164626827

IUPAC1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide
SMILESCN1CCN(c2ccc(/N=C(\N)c3cc4c(-c5ccccc5)nn(C)c4cn3)cc2)CC1
InChIInChI=1S/C25H27N7/c1-30-12-14-32(15-13-30)20-10-8-19(9-11-20)28-25(26)22-16-21-23(17-27-22)31(2)29-24(21)18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(H2,26,28)
InChIKeyZVLKGKRQYFBOFV-UHFFFAOYSA-N
MW425.54 g/mol
LogP3.42
Rot. Bonds4

About 1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide

1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide (PubChem CID 164626827) has the molecular formula C25H27N7 and a molecular weight of 425.54 g/mol. Its IUPAC name is 1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide.

Molecular Properties

Compound Name1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide
PubChem CID164626827
Molecular FormulaC25H27N7
Molecular Weight425.54 g/mol
Exact Mass425.23
IUPAC Name1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide
SMILESCN1CCN(c2ccc(/N=C(\N)c3cc4c(-c5ccccc5)nn(C)c4cn3)cc2)CC1
InChIInChI=1S/C25H27N7/c1-30-12-14-32(15-13-30)20-10-8-19(9-11-20)28-25(26)22-16-21-23(17-27-22)31(2)29-24(21)18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(H2,26,28)
InChIKeyZVLKGKRQYFBOFV-UHFFFAOYSA-N
XLogP3.42
TPSA75.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
The IUPAC name of 1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide (CID 164626827) is 1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide.
What is the SMILES notation for 1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
The canonical SMILES for 1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide is CN1CCN(c2ccc(/N=C(\N)c3cc4c(-c5ccccc5)nn(C)c4cn3)cc2)CC1.
What is the InChIKey of 1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
The InChIKey is ZVLKGKRQYFBOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7/c1-30-12-14-32(15-13-30)20-10-8-19(9-11-20)28-25(26)22-16-21-23(17-27-22)31(2)29-24(21)18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(H2,26,28).
What are the key properties of 1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide?
1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide has a molecular weight of 425.54 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[4-(4-methylpiperazin-1-yl)phenyl]-3-phenylpyrazolo[3,4-c]pyridine-5-carboximidamide is sourced from PubChem (CID 164626827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).