1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C25H23Cl2N5O — CID 122458330

IUPAC1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc2c(cnn2C2CCN(Cc3ccccc3)CC2)c1Cl
InChIInChI=1S/C25H23Cl2N5O/c26-18-6-8-19(9-7-18)30-25(33)22-14-28-24-21(23(22)27)15-29-32(24)20-10-12-31(13-11-20)16-17-4-2-1-3-5-17/h1-9,14-15,20H,10-13,16H2,(H,30,33)
InChIKeyANBCENHSRINBOS-UHFFFAOYSA-N
MW480.40 g/mol
LogP5.83
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 122458330) has the molecular formula C25H23Cl2N5O and a molecular weight of 480.40 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID122458330
Molecular FormulaC25H23Cl2N5O
Molecular Weight480.40 g/mol
Exact Mass479.13
IUPAC Name1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)c1cnc2c(cnn2C2CCN(Cc3ccccc3)CC2)c1Cl
InChIInChI=1S/C25H23Cl2N5O/c26-18-6-8-19(9-7-18)30-25(33)22-14-28-24-21(23(22)27)15-29-32(24)20-10-12-31(13-11-20)16-17-4-2-1-3-5-17/h1-9,14-15,20H,10-13,16H2,(H,30,33)
InChIKeyANBCENHSRINBOS-UHFFFAOYSA-N
XLogP5.83
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.40
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-(1,1-dioxothian-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
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1-benzyl-4-chloro-N-(4-chlorophenyl)-3-methylpyrrolo[2,3-b]pyridine-5-carboxamide
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N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
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N-(4-chlorophenyl)-4-methyl-2-[1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]pyrimidine-5-carboxamide
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1-benzyl-4-chloro-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
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4-chloro-1-(pyridin-2-ylmethyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
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N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
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1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-(2-methoxyethyl)urea
CID 25195789
1-[4-[1-(1-benzylpiperidin-4-yl)-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-[2-(dimethylamino)ethyl]urea
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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 122458330) is 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(Nc1ccc(Cl)cc1)c1cnc2c(cnn2C2CCN(Cc3ccccc3)CC2)c1Cl.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ANBCENHSRINBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2N5O/c26-18-6-8-19(9-7-18)30-25(33)22-14-28-24-21(23(22)27)15-29-32(24)20-10-12-31(13-11-20)16-17-4-2-1-3-5-17/h1-9,14-15,20H,10-13,16H2,(H,30,33).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 480.40 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-4-chloro-N-(4-chlorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 122458330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).