N-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide

C20H19ClFN7O2 — CID 59639383

IUPACN-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ncc(Cl)cc3F)cnn2C)cc1)N(C)C
InChIInChI=1S/C20H19ClFN7O2/c1-28(2)16(23)11-4-6-12(7-5-11)19(30)27-18-14(10-25-29(18)3)20(31)26-17-15(22)8-13(21)9-24-17/h4-10,23H,1-3H3,(H,27,30)(H,24,26,31)/b23-16-
InChIKeyMFOGYQCQDGJFMK-KQWNVCNZSA-N
MW443.87 g/mol
LogP3.00
Rot. Bonds5

About N-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide

N-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide (PubChem CID 59639383) has the molecular formula C20H19ClFN7O2 and a molecular weight of 443.87 g/mol. Its IUPAC name is N-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide
PubChem CID59639383
Molecular FormulaC20H19ClFN7O2
Molecular Weight443.87 g/mol
Exact Mass443.13
IUPAC NameN-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ncc(Cl)cc3F)cnn2C)cc1)N(C)C
InChIInChI=1S/C20H19ClFN7O2/c1-28(2)16(23)11-4-6-12(7-5-11)19(30)27-18-14(10-25-29(18)3)20(31)26-17-15(22)8-13(21)9-24-17/h4-10,23H,1-3H3,(H,27,30)(H,24,26,31)/b23-16-
InChIKeyMFOGYQCQDGJFMK-KQWNVCNZSA-N
XLogP3.00
TPSA116.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.87
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide 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

N-(2-aminoperoxysulfanyl-4-chlorophenyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide
CID 18727973
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide
CID 18728123
N-(4-chlorophenyl)-1-methyl-5-[[4-(N'-methylcarbamimidoyl)benzoyl]amino]pyrazole-4-carboxamide
CID 18728008
methyl 2-[3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]phenyl]sulfanylacetate
CID 21021794
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-5-chloro-2-fluorobenzamide
CID 79499352
N-(4-chlorophenyl)-1-methyl-5-[[4-(4-methylpiperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide;N-(4-chlorophenyl)-1-methyl-5-[[4-(piperazine-1-carboximidoyl)benzoyl]amino]pyrazole-4-carboxamide
CID 157192088
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-(octylamino)-2-oxoethoxy]benzamide
CID 157411436
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(N-ethyl-N-methylcarbamimidoyl)benzoyl]amino]benzamide
CID 44565603
N-[2-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide;N-(5-bromo-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzoyl]amino]-5-methylbenzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-methylbenzamide
CID 90920317
N-(5-chloro-2-pyridinyl)-2-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-5-[2-oxo-2-(8-oxodecylamino)ethoxy]benzamide
CID 147045425
N-(4-carbamothioyl-1-methylpyrazol-5-yl)-2,5-dichlorobenzamide
CID 79499109
N-[4-chloro-2-[(5-ethynyl-2-pyridinyl)carbamoyl]phenyl]-4-(N,N-dimethylcarbamimidoyl)-2-fluorobenzamide
CID 10115724

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide (CID 59639383) is N-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide is [H]/N=C(/c1ccc(C(=O)Nc2c(C(=O)Nc3ncc(Cl)cc3F)cnn2C)cc1)N(C)C.
What is the InChIKey of N-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide?
The InChIKey is MFOGYQCQDGJFMK-KQWNVCNZSA-N. The full InChI is InChI=1S/C20H19ClFN7O2/c1-28(2)16(23)11-4-6-12(7-5-11)19(30)27-18-14(10-25-29(18)3)20(31)26-17-15(22)8-13(21)9-24-17/h4-10,23H,1-3H3,(H,27,30)(H,24,26,31)/b23-16-.
What are the key properties of N-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide?
N-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide has a molecular weight of 443.87 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-fluoro-2-pyridinyl)-5-[[4-(N,N-dimethylcarbamimidoyl)benzoyl]amino]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 59639383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).