N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide

C17H16N6O2S — CID 138500080

IUPACN-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1)C1CC1
InChIInChI=1S/C17H16N6O2S/c24-26(25,12-3-4-12)21-9-11-8-14-13(5-7-18-17(14)22-11)15-10-20-23-16(15)2-1-6-19-23/h1-2,5-8,10,12,21H,3-4,9H2,(H,18,22)
InChIKeyDQFFHODWODODSN-UHFFFAOYSA-N
MW368.42 g/mol
LogP1.85
Rot. Bonds5

About N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide

N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide (PubChem CID 138500080) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide
PubChem CID138500080
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC NameN-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1)C1CC1
InChIInChI=1S/C17H16N6O2S/c24-26(25,12-3-4-12)21-9-11-8-14-13(5-7-18-17(14)22-11)15-10-20-23-16(15)2-1-6-19-23/h1-2,5-8,10,12,21H,3-4,9H2,(H,18,22)
InChIKeyDQFFHODWODODSN-UHFFFAOYSA-N
XLogP1.85
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide?
The IUPAC name of N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide (CID 138500080) is N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide is O=S(=O)(NCc1cc2c(-c3cnn4ncccc34)ccnc2[nH]1)C1CC1.
What is the InChIKey of N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide?
The InChIKey is DQFFHODWODODSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c24-26(25,12-3-4-12)21-9-11-8-14-13(5-7-18-17(14)22-11)15-10-20-23-16(15)2-1-6-19-23/h1-2,5-8,10,12,21H,3-4,9H2,(H,18,22).
What are the key properties of N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide?
N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide has a molecular weight of 368.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclopropanesulfonamide is sourced from PubChem (CID 138500080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).