5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H22ClN5O5S — CID 176912916

IUPAC5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(Cl)c(COc2ccn3nc(C(=O)NC4(C)CCS(=O)(=O)CC4)cc3n2)n1
InChIInChI=1S/C20H22ClN5O5S/c1-20(6-9-32(28,29)10-7-20)24-19(27)14-11-16-23-18(5-8-26(16)25-14)31-12-15-13(21)3-4-17(22-15)30-2/h3-5,8,11H,6-7,9-10,12H2,1-2H3,(H,24,27)
InChIKeyIURKZHCVCIYANH-UHFFFAOYSA-N
MW479.95 g/mol
LogP2.06
Rot. Bonds6

About 5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 176912916) has the molecular formula C20H22ClN5O5S and a molecular weight of 479.95 g/mol. Its IUPAC name is 5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID176912916
Molecular FormulaC20H22ClN5O5S
Molecular Weight479.95 g/mol
Exact Mass479.10
IUPAC Name5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(Cl)c(COc2ccn3nc(C(=O)NC4(C)CCS(=O)(=O)CC4)cc3n2)n1
InChIInChI=1S/C20H22ClN5O5S/c1-20(6-9-32(28,29)10-7-20)24-19(27)14-11-16-23-18(5-8-26(16)25-14)31-12-15-13(21)3-4-17(22-15)30-2/h3-5,8,11H,6-7,9-10,12H2,1-2H3,(H,24,27)
InChIKeyIURKZHCVCIYANH-UHFFFAOYSA-N
XLogP2.06
TPSA124.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 176912916) is 5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(Cl)c(COc2ccn3nc(C(=O)NC4(C)CCS(=O)(=O)CC4)cc3n2)n1.
What is the InChIKey of 5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is IURKZHCVCIYANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O5S/c1-20(6-9-32(28,29)10-7-20)24-19(27)14-11-16-23-18(5-8-26(16)25-14)31-12-15-13(21)3-4-17(22-15)30-2/h3-5,8,11H,6-7,9-10,12H2,1-2H3,(H,24,27).
What are the key properties of 5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 479.95 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-6-methoxy-2-pyridinyl)methoxy]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 176912916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).