N-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide

C23H27N7O5S — CID 166918895

IUPACN-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)cc(S(C)(=O)=O)n2)c(-c2ccn(CC(=O)N3CCOCC3)n2)cn1
InChIInChI=1S/C23H27N7O5S/c1-15-10-21(27-22(11-15)36(3,33)34)26-19-12-20(25-16(2)31)24-13-17(19)18-4-5-30(28-18)14-23(32)29-6-8-35-9-7-29/h4-5,10-13H,6-9,14H2,1-3H3,(H2,24,25,26,27,31)
InChIKeyKYILIDLQNIBZPS-UHFFFAOYSA-N
MW513.58 g/mol
LogP1.61
Rot. Bonds7

About N-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide

N-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide (PubChem CID 166918895) has the molecular formula C23H27N7O5S and a molecular weight of 513.58 g/mol. Its IUPAC name is N-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
PubChem CID166918895
Molecular FormulaC23H27N7O5S
Molecular Weight513.58 g/mol
Exact Mass513.18
IUPAC NameN-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Nc2cc(C)cc(S(C)(=O)=O)n2)c(-c2ccn(CC(=O)N3CCOCC3)n2)cn1
InChIInChI=1S/C23H27N7O5S/c1-15-10-21(27-22(11-15)36(3,33)34)26-19-12-20(25-16(2)31)24-13-17(19)18-4-5-30(28-18)14-23(32)29-6-8-35-9-7-29/h4-5,10-13H,6-9,14H2,1-3H3,(H2,24,25,26,27,31)
InChIKeyKYILIDLQNIBZPS-UHFFFAOYSA-N
XLogP1.61
TPSA148.41 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.58
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide?
The IUPAC name of 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) is N-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(Nc2cc(C)cc(S(C)(=O)=O)n2)c(-c2ccn(CC(=O)N3CCOCC3)n2)cn1.
What is the InChIKey of N-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide?
The InChIKey is KYILIDLQNIBZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O5S/c1-15-10-21(27-22(11-15)36(3,33)34)26-19-12-20(25-16(2)31)24-13-17(19)18-4-5-30(28-18)14-23(32)29-6-8-35-9-7-29/h4-5,10-13H,6-9,14H2,1-3H3,(H2,24,25,26,27,31).
What are the key properties of N-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide?
N-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide has a molecular weight of 513.58 g/mol, XLogP of 1.61, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-6-methylsulfonyl-2-pyridinyl)amino]-5-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166918895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).