N-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide

C20H22N6O4S — CID 166918707

IUPACN-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)cc(S(C)(=O)=O)n2)c(-c2cc3n(n2)CCOC3)cn1
InChIInChI=1S/C20H22N6O4S/c1-12-6-19(24-20(7-12)31(3,28)29)23-16-9-18(22-13(2)27)21-10-15(16)17-8-14-11-30-5-4-26(14)25-17/h6-10H,4-5,11H2,1-3H3,(H2,21,22,23,24,27)
InChIKeyMGABYSQXYQZGPC-UHFFFAOYSA-N
MW442.50 g/mol
LogP2.28
Rot. Bonds5

About N-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide

N-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide (PubChem CID 166918707) has the molecular formula C20H22N6O4S and a molecular weight of 442.50 g/mol. Its IUPAC name is N-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
PubChem CID166918707
Molecular FormulaC20H22N6O4S
Molecular Weight442.50 g/mol
Exact Mass442.14
IUPAC NameN-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)cc(S(C)(=O)=O)n2)c(-c2cc3n(n2)CCOC3)cn1
InChIInChI=1S/C20H22N6O4S/c1-12-6-19(24-20(7-12)31(3,28)29)23-16-9-18(22-13(2)27)21-10-15(16)17-8-14-11-30-5-4-26(14)25-17/h6-10H,4-5,11H2,1-3H3,(H2,21,22,23,24,27)
InChIKeyMGABYSQXYQZGPC-UHFFFAOYSA-N
XLogP2.28
TPSA128.10 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide with MolForge

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Related Compounds

N-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
CID 166918895
N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918982
N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918499
N-[5-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 166919046
N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918615
N-[4-[(4-cyano-6-methylsulfonyl-2-pyridinyl)amino]-5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-2-pyridinyl]acetamide
CID 166918746
N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918359
N-[5-(2,2-dimethyl-3H-[1,4]dioxino[2,3-b]pyridin-6-yl)-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 166918667
N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 167439722
N-[5-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-pyridinyl]-4-[(4-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 166918458
N-[4-[[4-(cyanomethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-[1-(iodomethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
CID 174188036
N-[5-(2,3-dimethyl-4,5-dihydro-3H-pyridazin-6-yl)-4-[(6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide
CID 166918398

Frequently Asked Questions

What is the IUPAC name of N-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide (CID 166918707) is N-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)cc(S(C)(=O)=O)n2)c(-c2cc3n(n2)CCOC3)cn1.
What is the InChIKey of N-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The InChIKey is MGABYSQXYQZGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4S/c1-12-6-19(24-20(7-12)31(3,28)29)23-16-9-18(22-13(2)27)21-10-15(16)17-8-14-11-30-5-4-26(14)25-17/h6-10H,4-5,11H2,1-3H3,(H2,21,22,23,24,27).
What are the key properties of N-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide?
N-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide has a molecular weight of 442.50 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl)-4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 166918707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).