2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide

C171H180N36O9 — CID 161044124

IUPAC2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide
SMILES[2H]C1CCNCC1c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.[2H]C1CCNC[C@@H]1c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.[2H]C1CCNC[C@H]1c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.[2H]C1CNCC(c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1.[2H]c1c2cccc(C(N)=O)c2nn1-c1ccc(C2CCCNC2)cc1.[2H]c1c2cccc(C(N)=O)c2nn1-c1ccc([C@@H]2CCCNC2)cc1.[2H]c1c2cccc(C(N)=O)c2nn1-c1ccc([C@H]2CCCNC2)cc1.[2H]c1ccc(C(N)=O)c2nn(-c3ccc([C@@H]4CCCNC4)cc3)cc12.[2H]c1ccc(C(N)=O)c2nn(-c3ccc([C@H]4CCCNC4)cc3)cc12
InChIInChI=1S/9C19H20N4O/c9*20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h9*1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t6*14-;;;/m111000.../s1/i12D;4D;3D;12D;4D;3D;12D;4D;2D/tm;4?,14-;2m;4?,14-;m;;;
InChIKeyUBGRDLNZLFQBDD-HRQSYINRSA-N
MW2892.62 g/mol
LogP23.32
Rot. Bonds27

About 2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide

2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide (PubChem CID 161044124) has the molecular formula C171H180N36O9 and a molecular weight of 2892.62 g/mol. Its IUPAC name is 2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide
PubChem CID161044124
Molecular FormulaC171H180N36O9
Molecular Weight2892.62 g/mol
Exact Mass2890.53
IUPAC Name2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide
SMILES[2H]C1CCNCC1c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.[2H]C1CCNC[C@@H]1c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.[2H]C1CCNC[C@H]1c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.[2H]C1CNCC(c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1.[2H]c1c2cccc(C(N)=O)c2nn1-c1ccc(C2CCCNC2)cc1.[2H]c1c2cccc(C(N)=O)c2nn1-c1ccc([C@@H]2CCCNC2)cc1.[2H]c1c2cccc(C(N)=O)c2nn1-c1ccc([C@H]2CCCNC2)cc1.[2H]c1ccc(C(N)=O)c2nn(-c3ccc([C@@H]4CCCNC4)cc3)cc12.[2H]c1ccc(C(N)=O)c2nn(-c3ccc([C@H]4CCCNC4)cc3)cc12
InChIInChI=1S/9C19H20N4O/c9*20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h9*1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t6*14-;;;/m111000.../s1/i12D;4D;3D;12D;4D;3D;12D;4D;2D/tm;4?,14-;2m;4?,14-;m;;;
InChIKeyUBGRDLNZLFQBDD-HRQSYINRSA-N
XLogP23.32
TPSA656.46 Ų
H-Bond Donors18
H-Bond Acceptors36
Rotatable Bonds27
Heavy Atoms216
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002892.62
LogP ≤ 523.32
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1036

Analyze 2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide (CID 161044124) is 2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide is [2H]C1CCNCC1c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.[2H]C1CCNC[C@@H]1c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.[2H]C1CCNC[C@H]1c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1.[2H]C1CNCC(c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1.[2H]c1c2cccc(C(N)=O)c2nn1-c1ccc(C2CCCNC2)cc1.[2H]c1c2cccc(C(N)=O)c2nn1-c1ccc([C@@H]2CCCNC2)cc1.[2H]c1c2cccc(C(N)=O)c2nn1-c1ccc([C@H]2CCCNC2)cc1.[2H]c1ccc(C(N)=O)c2nn(-c3ccc([C@@H]4CCCNC4)cc3)cc12.[2H]c1ccc(C(N)=O)c2nn(-c3ccc([C@H]4CCCNC4)cc3)cc12.
What is the InChIKey of 2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide?
The InChIKey is UBGRDLNZLFQBDD-HRQSYINRSA-N. The full InChI is InChI=1S/9C19H20N4O/c9*20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h9*1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t6*14-;;;/m111000.../s1/i12D;4D;3D;12D;4D;3D;12D;4D;2D/tm;4?,14-;2m;4?,14-;m;;;.
What are the key properties of 2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide?
2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide has a molecular weight of 2892.62 g/mol, XLogP of 23.32, 27 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-[(3R)-4-deuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide;2-[4-(4-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;2-[4-(5-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3-deuterio-2-(4-piperidin-3-ylphenyl)indazole-7-carboxamide;4-deuterio-2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;4-deuterio-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 161044124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).