2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

C24H26ClN5O2 — CID 164537841

IUPAC2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c2c(nn1-c1ccc(Oc3ccc(Cl)cc3)cc1)C(C1CCNCC1)CCN2
InChIInChI=1S/C24H26ClN5O2/c25-16-1-5-18(6-2-16)32-19-7-3-17(4-8-19)30-23(24(26)31)22-21(29-30)20(11-14-28-22)15-9-12-27-13-10-15/h1-8,15,20,27-28H,9-14H2,(H2,26,31)
InChIKeyHEQDHHQAFHWUGT-UHFFFAOYSA-N
MW451.96 g/mol
LogP4.32
Rot. Bonds5

About 2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 164537841) has the molecular formula C24H26ClN5O2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
PubChem CID164537841
Molecular FormulaC24H26ClN5O2
Molecular Weight451.96 g/mol
Exact Mass451.18
IUPAC Name2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c2c(nn1-c1ccc(Oc3ccc(Cl)cc3)cc1)C(C1CCNCC1)CCN2
InChIInChI=1S/C24H26ClN5O2/c25-16-1-5-18(6-2-16)32-19-7-3-17(4-8-19)30-23(24(26)31)22-21(29-30)20(11-14-28-22)15-9-12-27-13-10-15/h1-8,15,20,27-28H,9-14H2,(H2,26,31)
InChIKeyHEQDHHQAFHWUGT-UHFFFAOYSA-N
XLogP4.32
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (CID 164537841) is 2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is NC(=O)c1c2c(nn1-c1ccc(Oc3ccc(Cl)cc3)cc1)C(C1CCNCC1)CCN2.
What is the InChIKey of 2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The InChIKey is HEQDHHQAFHWUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O2/c25-16-1-5-18(6-2-16)32-19-7-3-17(4-8-19)30-23(24(26)31)22-21(29-30)20(11-14-28-22)15-9-12-27-13-10-15/h1-8,15,20,27-28H,9-14H2,(H2,26,31).
What are the key properties of 2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 451.96 g/mol, XLogP of 4.32, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 164537841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).