N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

C20H21N5O3 — CID 91908331

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)Nc3ccc4c(c3)OCCO4)cc2c(N2CCCC2)n1
InChIInChI=1S/C20H21N5O3/c1-13-12-25-16(19(21-13)24-6-2-3-7-24)11-15(23-25)20(26)22-14-4-5-17-18(10-14)28-9-8-27-17/h4-5,10-12H,2-3,6-9H2,1H3,(H,22,26)
InChIKeyLLHWUWOCYZLELS-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.66
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91908331) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91908331
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)Nc3ccc4c(c3)OCCO4)cc2c(N2CCCC2)n1
InChIInChI=1S/C20H21N5O3/c1-13-12-25-16(19(21-13)24-6-2-3-7-24)11-15(23-25)20(26)22-14-4-5-17-18(10-14)28-9-8-27-17/h4-5,10-12H,2-3,6-9H2,1H3,(H,22,26)
InChIKeyLLHWUWOCYZLELS-UHFFFAOYSA-N
XLogP2.66
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-({2-[(Cyclopropylcarbonyl)amino]imidazo[1,2-B]pyridazin-6-Yl}oxy)phenyl]-1,3-Dimethyl-1h-Pyrazole-5-Carboxamide
CID 57505507
N-[5-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)-2-fluorophenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 24767979
n-[3-({2-[(Cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1,5-dimethyl-1h-pyrazole-3-carboxamide
CID 57505514
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 3237768
N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-a]pyridin-6-yl}oxy)phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 25127854
N-[3-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-1-methylpyrrole-2-carboxamide
CID 44529094
N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 57505467
N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 57505501
8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
CID 126617729
2-Methyl-imidazo[1,2-a]pyridine-3-carboxylic acid (2,3-dihydro-benzo[1,4]dioxin-6-yl)-amide
CID 1172201
N-(1,3-benzodioxol-5-yl)-6-bromo-2-pyrazolo[1,5-a]pyrimidinecarboxamide
CID 1258402
8-methoxy-N-pyridazin-3-ylpyrimido[1,2-a]benzimidazole-2-carboxamide
CID 164610074

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91908331) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)Nc3ccc4c(c3)OCCO4)cc2c(N2CCCC2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is LLHWUWOCYZLELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-13-12-25-16(19(21-13)24-6-2-3-7-24)11-15(23-25)20(26)22-14-4-5-17-18(10-14)28-9-8-27-17/h4-5,10-12H,2-3,6-9H2,1H3,(H,22,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91908331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).