2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide

C19H20N4O — CID 154588359

IUPAC2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
SMILES[2H]c1c([2H])c(-n2cc3cccc(C(N)=O)c3n2)c([2H])c([2H])c1[C@@H]1CCCNC1
InChIInChI=1S/C19H20N4O/c20-19(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/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1/i6D,7D,8D,9D
InChIKeyPCHKPVIQAHNQLW-RBISXNJMSA-N
MW324.42 g/mol
LogP2.59
Rot. Bonds3

About 2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide

2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide (PubChem CID 154588359) has the molecular formula C19H20N4O and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
PubChem CID154588359
Molecular FormulaC19H20N4O
Molecular Weight324.42 g/mol
Exact Mass324.19
IUPAC Name2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
SMILES[2H]c1c([2H])c(-n2cc3cccc(C(N)=O)c3n2)c([2H])c([2H])c1[C@@H]1CCCNC1
InChIInChI=1S/C19H20N4O/c20-19(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/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1/i6D,7D,8D,9D
InChIKeyPCHKPVIQAHNQLW-RBISXNJMSA-N
XLogP2.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide (CID 154588359) is 2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide is [2H]c1c([2H])c(-n2cc3cccc(C(N)=O)c3n2)c([2H])c([2H])c1[C@@H]1CCCNC1.
What is the InChIKey of 2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide?
The InChIKey is PCHKPVIQAHNQLW-RBISXNJMSA-N. The full InChI is InChI=1S/C19H20N4O/c20-19(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/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1/i6D,7D,8D,9D.
What are the key properties of 2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide?
2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 154588359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).