N-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide

C22H24N8O3S — CID 122438974

IUPACN-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide
SMILESCCS(=O)(=O)Nc1ncccc1Cn1nc(C)c2cnc(Nc3ccc(NC(C)=O)cn3)cc21
InChIInChI=1S/C22H24N8O3S/c1-4-34(32,33)29-22-16(6-5-9-23-22)13-30-19-10-21(25-12-18(19)14(2)28-30)27-20-8-7-17(11-24-20)26-15(3)31/h5-12H,4,13H2,1-3H3,(H,23,29)(H,26,31)(H,24,25,27)
InChIKeyFNTCYOHTSOXRKE-UHFFFAOYSA-N
MW480.55 g/mol
LogP3.04
Rot. Bonds8

About N-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide

N-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide (PubChem CID 122438974) has the molecular formula C22H24N8O3S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide
PubChem CID122438974
Molecular FormulaC22H24N8O3S
Molecular Weight480.55 g/mol
Exact Mass480.17
IUPAC NameN-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide
SMILESCCS(=O)(=O)Nc1ncccc1Cn1nc(C)c2cnc(Nc3ccc(NC(C)=O)cn3)cc21
InChIInChI=1S/C22H24N8O3S/c1-4-34(32,33)29-22-16(6-5-9-23-22)13-30-19-10-21(25-12-18(19)14(2)28-30)27-20-8-7-17(11-24-20)26-15(3)31/h5-12H,4,13H2,1-3H3,(H,23,29)(H,26,31)(H,24,25,27)
InChIKeyFNTCYOHTSOXRKE-UHFFFAOYSA-N
XLogP3.04
TPSA143.79 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide (CID 122438974) is N-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide is CCS(=O)(=O)Nc1ncccc1Cn1nc(C)c2cnc(Nc3ccc(NC(C)=O)cn3)cc21.
What is the InChIKey of N-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide?
The InChIKey is FNTCYOHTSOXRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O3S/c1-4-34(32,33)29-22-16(6-5-9-23-22)13-30-19-10-21(25-12-18(19)14(2)28-30)27-20-8-7-17(11-24-20)26-15(3)31/h5-12H,4,13H2,1-3H3,(H,23,29)(H,26,31)(H,24,25,27).
What are the key properties of N-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide?
N-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide has a molecular weight of 480.55 g/mol, XLogP of 3.04, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[1-[[2-(ethylsulfonylamino)-3-pyridinyl]methyl]-3-methylpyrazolo[4,3-c]pyridin-6-yl]amino]-3-pyridinyl]acetamide is sourced from PubChem (CID 122438974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).