2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide

C19H20N4O — CID 154588348

IUPAC2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
SMILES[2H]C1([2H])CNCC(c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1
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)/i2D2
InChIKeyPCHKPVIQAHNQLW-CBTSVUPCSA-N
MW322.41 g/mol
LogP2.59
Rot. Bonds3

About 2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide

2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide (PubChem CID 154588348) has the molecular formula C19H20N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
PubChem CID154588348
Molecular FormulaC19H20N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
SMILES[2H]C1([2H])CNCC(c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1
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)/i2D2
InChIKeyPCHKPVIQAHNQLW-CBTSVUPCSA-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 ≤ 500322.41
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Niraparib
CID 24958200
Niraparib Tosylate
CID 78357761
2-(4-(piperidin-3-yl)phenyl)-2H-indazole-7-carboxamide
CID 24958198
2-phenyl-2H,4H,5H-pyrazolo(3,4-c)quinolin-4-one
CID 4962866
3-[5-(Piperidin-1-Ylmethyl)-1h-Indol-2-Yl]-6-(1h-Pyrazol-4-Yl)quinolin-2(1h)-One
CID 11690363
8-Methyl-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 5273070
2-phenyl-2H-indazole-7-carboxamide
CID 44549251
2-Benzyl-2H-indazole-7-carboxamide
CID 44549372
2-(2-Chlorophenyl)-2H-indazole-7-carboxamide
CID 44549373
2-(3-Chlorophenyl)-2H-indazole-7-carboxamide
CID 44549374
2-(4-Chlorophenyl)-2H-indazole-7-carboxamide
CID 44549375
N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide (CID 154588348) is 2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide is [2H]C1([2H])CNCC(c2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)C1.
What is the InChIKey of 2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide?
The InChIKey is PCHKPVIQAHNQLW-CBTSVUPCSA-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)/i2D2.
What are the key properties of 2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide?
2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide has a molecular weight of 322.41 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-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide is sourced from PubChem (CID 154588348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).