N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C21H23N5O3S — CID 71728063

IUPACN-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCCCn1cc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)cc2)cn1
InChIInChI=1S/C21H23N5O3S/c1-2-9-26-15-20(12-24-26)30(28,29)19-5-3-16(4-6-19)10-23-21(27)25-13-17-7-8-22-11-18(17)14-25/h3-8,11-12,15H,2,9-10,13-14H2,1H3,(H,23,27)
InChIKeyBIYHERJIIMZOGR-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.75
Rot. Bonds6

About N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 71728063) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
PubChem CID71728063
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC NameN-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
SMILESCCCn1cc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)cc2)cn1
InChIInChI=1S/C21H23N5O3S/c1-2-9-26-15-20(12-24-26)30(28,29)19-5-3-16(4-6-19)10-23-21(27)25-13-17-7-8-22-11-18(17)14-25/h3-8,11-12,15H,2,9-10,13-14H2,1H3,(H,23,27)
InChIKeyBIYHERJIIMZOGR-UHFFFAOYSA-N
XLogP2.75
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 71728063) is N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is CCCn1cc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)cc2)cn1.
What is the InChIKey of N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
The InChIKey is BIYHERJIIMZOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-2-9-26-15-20(12-24-26)30(28,29)19-5-3-16(4-6-19)10-23-21(27)25-13-17-7-8-22-11-18(17)14-25/h3-8,11-12,15H,2,9-10,13-14H2,1H3,(H,23,27).
What are the key properties of N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?
N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 425.51 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-propylpyrazol-4-yl)sulfonylphenyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 71728063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).