N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide

C21H26N6O5S — CID 167439722

IUPACN-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(OC(C)C)cc(S(C)(=O)=O)n2)c(-c2ccn(CCO)n2)cn1
InChIInChI=1S/C21H26N6O5S/c1-13(2)32-15-9-20(25-21(10-15)33(4,30)31)24-18-11-19(23-14(3)29)22-12-16(18)17-5-6-27(26-17)7-8-28/h5-6,9-13,28H,7-8H2,1-4H3,(H2,22,23,24,25,29)
InChIKeyJHHCJEUFEQVOSQ-UHFFFAOYSA-N
MW474.54 g/mol
LogP2.23
Rot. Bonds9

About N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide

N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide (PubChem CID 167439722) has the molecular formula C21H26N6O5S and a molecular weight of 474.54 g/mol. Its IUPAC name is N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide
PubChem CID167439722
Molecular FormulaC21H26N6O5S
Molecular Weight474.54 g/mol
Exact Mass474.17
IUPAC NameN-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(OC(C)C)cc(S(C)(=O)=O)n2)c(-c2ccn(CCO)n2)cn1
InChIInChI=1S/C21H26N6O5S/c1-13(2)32-15-9-20(25-21(10-15)33(4,30)31)24-18-11-19(23-14(3)29)22-12-16(18)17-5-6-27(26-17)7-8-28/h5-6,9-13,28H,7-8H2,1-4H3,(H2,22,23,24,25,29)
InChIKeyJHHCJEUFEQVOSQ-UHFFFAOYSA-N
XLogP2.23
TPSA148.33 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918359
N-[4-[(4-ethoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918982
N-[4-[[4-(cyanomethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-[1-(iodomethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
CID 174188036
N-[4-[[4-(cyclopropylmethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918615
N-[4-[[4-(methoxymethyl)-6-methylsulfonyl-2-pyridinyl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918499
N-[5-(5-fluoro-2-pyridinyl)-4-[[4-(2-methoxyethoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide
CID 166918750
N-[4-[[4-[(2S)-2-hydroxypropoxy]-6-methylsulfonyl-2-pyridinyl]amino]-5-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]acetamide
CID 166918752
N-[5-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-4-[[4-(2-methoxypropoxy)-6-methylsulfonyl-2-pyridinyl]amino]-2-pyridinyl]acetamide
CID 166918764
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-[(3-methoxy-6-methylsulfonyl-2-pyridinyl)amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918696
N-[4-[3-(2-hydroxyethoxy)-5-methylsulfonylanilino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 166918661
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide (CID 167439722) is N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(OC(C)C)cc(S(C)(=O)=O)n2)c(-c2ccn(CCO)n2)cn1.
What is the InChIKey of N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide?
The InChIKey is JHHCJEUFEQVOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O5S/c1-13(2)32-15-9-20(25-21(10-15)33(4,30)31)24-18-11-19(23-14(3)29)22-12-16(18)17-5-6-27(26-17)7-8-28/h5-6,9-13,28H,7-8H2,1-4H3,(H2,22,23,24,25,29).
What are the key properties of N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide?
N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide has a molecular weight of 474.54 g/mol, XLogP of 2.23, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-4-[(6-methylsulfonyl-4-propan-2-yloxy-2-pyridinyl)amino]-2-pyridinyl]acetamide is sourced from PubChem (CID 167439722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).