4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide

C24H30N4O4S — CID 59539028

IUPAC4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccn2n1
InChIInChI=1S/C24H30N4O4S/c29-22(25-14-24-10-15-6-16(11-24)8-17(7-15)12-24)19-2-1-4-28-21(19)9-20(27-28)23(30)26-18-3-5-33(31,32)13-18/h1-2,4,9,15-18H,3,5-8,10-14H2,(H,25,29)(H,26,30)
InChIKeyMFUYQZVRSZBMIQ-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.20
Rot. Bonds5

About 4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide

4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide (PubChem CID 59539028) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide
PubChem CID59539028
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccn2n1
InChIInChI=1S/C24H30N4O4S/c29-22(25-14-24-10-15-6-16(11-24)8-17(7-15)12-24)19-2-1-4-28-21(19)9-20(27-28)23(30)26-18-3-5-33(31,32)13-18/h1-2,4,9,15-18H,3,5-8,10-14H2,(H,25,29)(H,26,30)
InChIKeyMFUYQZVRSZBMIQ-UHFFFAOYSA-N
XLogP2.20
TPSA109.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 46287275
[4-(1-adamantylmethylcarbamoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl ethaneperoxoate
CID 25095105
3-chloro-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 75768802
N-(1,1-dioxothiolan-3-yl)cinnoline-3-carboxamide
CID 110705072
N-(1-adamantylmethyl)naphthalene-2-carboxamide
CID 4284451
N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 110852783
N-(1-adamantylmethyl)-3-iodobenzamide
CID 7921302
3-N-(1,1-dioxothiolan-3-yl)-1-N-pentylbenzene-1,3-dicarboxamide
CID 109055570
2-chloro-N-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]benzamide
CID 17471003
4-N-(1,1-dioxothiolan-3-yl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077860
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720
N-(1,1-dioxothiolan-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110852773

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide (CID 59539028) is 4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide is O=C(NC1CCS(=O)(=O)C1)c1cc2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccn2n1.
What is the InChIKey of 4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide?
The InChIKey is MFUYQZVRSZBMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c29-22(25-14-24-10-15-6-16(11-24)8-17(7-15)12-24)19-2-1-4-28-21(19)9-20(27-28)23(30)26-18-3-5-33(31,32)13-18/h1-2,4,9,15-18H,3,5-8,10-14H2,(H,25,29)(H,26,30).
What are the key properties of 4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide?
4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide has a molecular weight of 470.60 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-adamantylmethyl)-2-N-(1,1-dioxothiolan-3-yl)pyrazolo[1,5-a]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 59539028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).