N-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C18H18N4O4S — CID 148853481

IUPACN-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1n[nH]c2ccc(-c3cncc(CO)c3)cc12
InChIInChI=1S/C18H18N4O4S/c23-9-11-5-13(8-19-7-11)12-1-2-16-15(6-12)17(22-21-16)18(24)20-14-3-4-27(25,26)10-14/h1-2,5-8,14,23H,3-4,9-10H2,(H,20,24)(H,21,22)
InChIKeyOXXGZRNUIYKFTH-UHFFFAOYSA-N
MW386.43 g/mol
LogP1.03
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 148853481) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID148853481
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1n[nH]c2ccc(-c3cncc(CO)c3)cc12
InChIInChI=1S/C18H18N4O4S/c23-9-11-5-13(8-19-7-11)12-1-2-16-15(6-12)17(22-21-16)18(24)20-14-3-4-27(25,26)10-14/h1-2,5-8,14,23H,3-4,9-10H2,(H,20,24)(H,21,22)
InChIKeyOXXGZRNUIYKFTH-UHFFFAOYSA-N
XLogP1.03
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-5-[5-(diethylaminomethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381625
N-cyclohexyl-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382113
N-cyclohexyl-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382226
N-cyclopropyl-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381128
5-[5-(azepan-1-ylmethyl)-3-pyridinyl]-N-(oxan-4-yl)-1H-indazole-3-carboxamide
CID 118381641
N-(2,3-dihydro-1H-inden-2-yl)-5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381150
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381541
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382158
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381779
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-1H-indazole-3-carboxamide
CID 118382252
5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(1-propan-2-ylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118381511
5-(5-amino-3-pyridinyl)-N-(1-tert-butylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382151

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 148853481) is N-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1n[nH]c2ccc(-c3cncc(CO)c3)cc12.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is OXXGZRNUIYKFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c23-9-11-5-13(8-19-7-11)12-1-2-16-15(6-12)17(22-21-16)18(24)20-14-3-4-27(25,26)10-14/h1-2,5-8,14,23H,3-4,9-10H2,(H,20,24)(H,21,22).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
N-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-5-[5-(hydroxymethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 148853481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).