(7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide

C25H25BrCl2N4O — CID 23633680

IUPAC(7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide
SMILESO=C(NN1CCCCC1)[C@@H]1CCCc2c1nn(-c1ccc(Cl)cc1Cl)c2-c1ccc(Br)cc1
InChIInChI=1S/C25H25BrCl2N4O/c26-17-9-7-16(8-10-17)24-19-5-4-6-20(25(33)30-31-13-2-1-3-14-31)23(19)29-32(24)22-12-11-18(27)15-21(22)28/h7-12,15,20H,1-6,13-14H2,(H,30,33)/t20-/m1/s1
InChIKeyRLIVDMULXMMENL-HXUWFJFHSA-N
MW548.31 g/mol
LogP6.55
Rot. Bonds4

About (7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide

(7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide (PubChem CID 23633680) has the molecular formula C25H25BrCl2N4O and a molecular weight of 548.31 g/mol. Its IUPAC name is (7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide.

Molecular Properties

Compound Name(7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide
PubChem CID23633680
Molecular FormulaC25H25BrCl2N4O
Molecular Weight548.31 g/mol
Exact Mass546.06
IUPAC Name(7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide
SMILESO=C(NN1CCCCC1)[C@@H]1CCCc2c1nn(-c1ccc(Cl)cc1Cl)c2-c1ccc(Br)cc1
InChIInChI=1S/C25H25BrCl2N4O/c26-17-9-7-16(8-10-17)24-19-5-4-6-20(25(33)30-31-13-2-1-3-14-31)23(19)29-32(24)22-12-11-18(27)15-21(22)28/h7-12,15,20H,1-6,13-14H2,(H,30,33)/t20-/m1/s1
InChIKeyRLIVDMULXMMENL-HXUWFJFHSA-N
XLogP6.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.31
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide?
The IUPAC name of (7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide (CID 23633680) is (7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide.
What is the SMILES notation for (7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide?
The canonical SMILES for (7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide is O=C(NN1CCCCC1)[C@@H]1CCCc2c1nn(-c1ccc(Cl)cc1Cl)c2-c1ccc(Br)cc1.
What is the InChIKey of (7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide?
The InChIKey is RLIVDMULXMMENL-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H25BrCl2N4O/c26-17-9-7-16(8-10-17)24-19-5-4-6-20(25(33)30-31-13-2-1-3-14-31)23(19)29-32(24)22-12-11-18(27)15-21(22)28/h7-12,15,20H,1-6,13-14H2,(H,30,33)/t20-/m1/s1.
What are the key properties of (7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide?
(7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide has a molecular weight of 548.31 g/mol, XLogP of 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-3-(4-bromophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5,6,7-tetrahydroindazole-7-carboxamide is sourced from PubChem (CID 23633680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).