N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

C21H25N5O3 — CID 91891286

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)c(OC)c1
InChIInChI=1S/C21H25N5O3/c1-14-13-26-18(20(23-14)25-8-4-5-9-25)11-17(24-26)21(27)22-12-15-6-7-16(28-2)10-19(15)29-3/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,22,27)
InChIKeyKMPFVIFPOZAQQE-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.59
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91891286) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91891286
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)c(OC)c1
InChIInChI=1S/C21H25N5O3/c1-14-13-26-18(20(23-14)25-8-4-5-9-25)11-17(24-26)21(27)22-12-15-6-7-16(28-2)10-19(15)29-3/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,22,27)
InChIKeyKMPFVIFPOZAQQE-UHFFFAOYSA-N
XLogP2.59
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide 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 N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91891286) is N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccc(CNC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is KMPFVIFPOZAQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-13-26-18(20(23-14)25-8-4-5-9-25)11-17(24-26)21(27)22-12-15-6-7-16(28-2)10-19(15)29-3/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3,(H,22,27).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91891286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).