3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide

C21H26N8OS — CID 173087066

IUPAC3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide
SMILESCc1cc(NC2=CN(Sc3ccc(NC(=O)CCN(C)C)cc3)Cc3nccn32)n[nH]1
InChIInChI=1S/C21H26N8OS/c1-15-12-18(26-25-15)24-20-14-28(13-19-22-9-11-29(19)20)31-17-6-4-16(5-7-17)23-21(30)8-10-27(2)3/h4-7,9,11-12,14H,8,10,13H2,1-3H3,(H,23,30)(H2,24,25,26)
InChIKeyMOPBLXQZWGJZSS-UHFFFAOYSA-N
MW438.56 g/mol
LogP3.20
Rot. Bonds8

About 3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide

3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide (PubChem CID 173087066) has the molecular formula C21H26N8OS and a molecular weight of 438.56 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide
PubChem CID173087066
Molecular FormulaC21H26N8OS
Molecular Weight438.56 g/mol
Exact Mass438.20
IUPAC Name3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide
SMILESCc1cc(NC2=CN(Sc3ccc(NC(=O)CCN(C)C)cc3)Cc3nccn32)n[nH]1
InChIInChI=1S/C21H26N8OS/c1-15-12-18(26-25-15)24-20-14-28(13-19-22-9-11-29(19)20)31-17-6-4-16(5-7-17)23-21(30)8-10-27(2)3/h4-7,9,11-12,14H,8,10,13H2,1-3H3,(H,23,30)(H2,24,25,26)
InChIKeyMOPBLXQZWGJZSS-UHFFFAOYSA-N
XLogP3.20
TPSA94.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide 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 3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide?
The IUPAC name of 3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide (CID 173087066) is 3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide.
What is the SMILES notation for 3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide?
The canonical SMILES for 3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide is Cc1cc(NC2=CN(Sc3ccc(NC(=O)CCN(C)C)cc3)Cc3nccn32)n[nH]1.
What is the InChIKey of 3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide?
The InChIKey is MOPBLXQZWGJZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N8OS/c1-15-12-18(26-25-15)24-20-14-28(13-19-22-9-11-29(19)20)31-17-6-4-16(5-7-17)23-21(30)8-10-27(2)3/h4-7,9,11-12,14H,8,10,13H2,1-3H3,(H,23,30)(H2,24,25,26).
What are the key properties of 3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide?
3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide has a molecular weight of 438.56 g/mol, XLogP of 3.20, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[4-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]-8H-imidazo[1,2-a]pyrazin-7-yl]sulfanyl]phenyl]propanamide is sourced from PubChem (CID 173087066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).