N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide

C17H18ClN7O2 — CID 164558520

IUPACN-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide
SMILESCNc1c(N)ncc(Oc2cnn3cc(N(C)C(=O)C4CC4)ncc23)c1Cl
InChIInChI=1S/C17H18ClN7O2/c1-20-15-14(18)12(6-22-16(15)19)27-11-7-23-25-8-13(21-5-10(11)25)24(2)17(26)9-3-4-9/h5-9,20H,3-4H2,1-2H3,(H2,19,22)
InChIKeyHPDXZBWDKFLTHB-UHFFFAOYSA-N
MW387.83 g/mol
LogP2.57
Rot. Bonds5

About N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide

N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide (PubChem CID 164558520) has the molecular formula C17H18ClN7O2 and a molecular weight of 387.83 g/mol. Its IUPAC name is N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide
PubChem CID164558520
Molecular FormulaC17H18ClN7O2
Molecular Weight387.83 g/mol
Exact Mass387.12
IUPAC NameN-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide
SMILESCNc1c(N)ncc(Oc2cnn3cc(N(C)C(=O)C4CC4)ncc23)c1Cl
InChIInChI=1S/C17H18ClN7O2/c1-20-15-14(18)12(6-22-16(15)19)27-11-7-23-25-8-13(21-5-10(11)25)24(2)17(26)9-3-4-9/h5-9,20H,3-4H2,1-2H3,(H2,19,22)
InChIKeyHPDXZBWDKFLTHB-UHFFFAOYSA-N
XLogP2.57
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-[(E)-2-amino-1-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide
CID 164558557
N-[3-[7-chloro-1-methyl-2-[[2-oxo-1-propan-2-yl-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxypyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide
CID 164560390
N-[5-[2-amino-1-[[4-chloro-5-(methylamino)-6-nitro-3-pyridinyl]oxy]ethenyl]pyrazin-2-yl]-N-methylcyclopropanecarboxamide
CID 164559870
4-hydroxy-N-methyl-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 115150798
6-[[cyclopropyl(hydroxy)methyl]-methylamino]pyrazolo[1,5-a]pyrazin-3-ol
CID 164559630
N-(5-bromo-2-pyridinyl)-N,1-dimethylpiperidine-4-carboxamide
CID 115274139
N-[6-(cyclopropylamino)-3-pyridinyl]-N-methylcyclopropanecarboxamide
CID 115268661
N-(5-bromo-2-pyridinyl)-N-methylcyclohexanecarboxamide
CID 115268285
N-methyl-N-[6-(methylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 115268525
N-methyl-4-oxo-N-pyridin-2-ylcyclohexane-1-carboxamide
CID 115150404
4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-N,N-dimethylcyclohexane-1-carboxamide
CID 169323707
N-(5-methoxy-2-pyridinyl)-N-methyl-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 127885756

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide?
The IUPAC name of N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide (CID 164558520) is N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide?
The canonical SMILES for N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide is CNc1c(N)ncc(Oc2cnn3cc(N(C)C(=O)C4CC4)ncc23)c1Cl.
What is the InChIKey of N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide?
The InChIKey is HPDXZBWDKFLTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN7O2/c1-20-15-14(18)12(6-22-16(15)19)27-11-7-23-25-8-13(21-5-10(11)25)24(2)17(26)9-3-4-9/h5-9,20H,3-4H2,1-2H3,(H2,19,22).
What are the key properties of N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide?
N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide has a molecular weight of 387.83 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-amino-4-chloro-5-(methylamino)-3-pyridinyl]oxy]pyrazolo[1,5-a]pyrazin-6-yl]-N-methylcyclopropanecarboxamide is sourced from PubChem (CID 164558520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).