N-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide

C24H27N5O4S — CID 53019179

IUPACN-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(C)=O)c4ccccc4)nn3C)C2)cc1
InChIInChI=1S/C24H27N5O4S/c1-17(30)25-19-9-11-21(12-10-19)34(32,33)28-14-13-24-22(15-28)23(26-27(24)3)16-29(18(2)31)20-7-5-4-6-8-20/h4-12H,13-16H2,1-3H3,(H,25,30)
InChIKeyXAWDWOOHODLWLG-UHFFFAOYSA-N
MW481.58 g/mol
LogP2.68
Rot. Bonds6

About N-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide

N-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide (PubChem CID 53019179) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide
PubChem CID53019179
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC NameN-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(C)=O)c4ccccc4)nn3C)C2)cc1
InChIInChI=1S/C24H27N5O4S/c1-17(30)25-19-9-11-21(12-10-19)34(32,33)28-14-13-24-22(15-28)23(26-27(24)3)16-29(18(2)31)20-7-5-4-6-8-20/h4-12H,13-16H2,1-3H3,(H,25,30)
InChIKeyXAWDWOOHODLWLG-UHFFFAOYSA-N
XLogP2.68
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide?
The IUPAC name of N-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide (CID 53019179) is N-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CCc3c(c(CN(C(C)=O)c4ccccc4)nn3C)C2)cc1.
What is the InChIKey of N-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide?
The InChIKey is XAWDWOOHODLWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-17(30)25-19-9-11-21(12-10-19)34(32,33)28-14-13-24-22(15-28)23(26-27(24)3)16-29(18(2)31)20-7-5-4-6-8-20/h4-12H,13-16H2,1-3H3,(H,25,30).
What are the key properties of N-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide?
N-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide has a molecular weight of 481.58 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[(N-acetylanilino)methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide is sourced from PubChem (CID 53019179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).