2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide

C20H22ClN7O4S — CID 141731697

IUPAC2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
SMILESCONC(=O)C1=CC=CC=C1NC2=CC(=NC=C2Cl)NC3=C4CN(CCN4N=C3)S(=O)(=O)C
InChIInChI=1S/C20H22ClN7O4S/c1-32-26-20(29)13-5-3-4-6-15(13)24-16-9-19(22-10-14(16)21)25-17-11-23-28-8-7-27(12-18(17)28)33(2,30)31/h3-6,9-11H,7-8,12H2,1-2H3,(H,26,29)(H2,22,24,25)
InChIKeyWLTLMQPPCYIUDC-UHFFFAOYSA-N
MW492.00 g/mol
LogP1.90
Rot. Bonds7

About 2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide

2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide (PubChem CID 141731697) has the molecular formula C20H22ClN7O4S and a molecular weight of 492.00 g/mol. Its IUPAC name is 2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide.

Molecular Properties

Compound Name2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
PubChem CID141731697
Molecular FormulaC20H22ClN7O4S
Molecular Weight492.00 g/mol
Exact Mass491.11
IUPAC Name2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
SMILESCONC(=O)C1=CC=CC=C1NC2=CC(=NC=C2Cl)NC3=C4CN(CCN4N=C3)S(=O)(=O)C
InChIInChI=1S/C20H22ClN7O4S/c1-32-26-20(29)13-5-3-4-6-15(13)24-16-9-19(22-10-14(16)21)25-17-11-23-28-8-7-27(12-18(17)28)33(2,30)31/h3-6,9-11H,7-8,12H2,1-2H3,(H,26,29)(H2,22,24,25)
InChIKeyWLTLMQPPCYIUDC-UHFFFAOYSA-N
XLogP1.90
TPSA139.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity785

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.00
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

Presatovir
CID 58029842
Gsk-2256098
CID 46214930
N-[4-chloro-2-[(2S)-2-[5-[(3R)-3-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 56598769
N-[4-chloro-2-[(2S)-2-[5-[(3S)-3-cyanopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 58029968
2-[[5-chloro-2-[(3-methyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731689
2-[[5-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731693
2-[[5-chloro-2-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731711
2-[[5-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731718
2-[[5-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731723
N-[4-chloro-2-[(2S)-2-[5-(3-hydroxyazetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 56597828
N-[2-[(2S)-2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 58029357
N-[2-[(2S)-2-[5-(3-aminoazetidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide
CID 58029481

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide?
The IUPAC name of 2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide (CID 141731697) is 2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide.
What is the SMILES notation for 2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide?
The canonical SMILES for 2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide is CONC(=O)C1=CC=CC=C1NC2=CC(=NC=C2Cl)NC3=C4CN(CCN4N=C3)S(=O)(=O)C.
What is the InChIKey of 2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide?
The InChIKey is WLTLMQPPCYIUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN7O4S/c1-32-26-20(29)13-5-3-4-6-15(13)24-16-9-19(22-10-14(16)21)25-17-11-23-28-8-7-27(12-18(17)28)33(2,30)31/h3-6,9-11H,7-8,12H2,1-2H3,(H,26,29)(H2,22,24,25).
What are the key properties of 2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide?
2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide has a molecular weight of 492.00 g/mol, XLogP of 1.90, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide is sourced from PubChem (CID 141731697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).