N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide

C22H27N5O3 — CID 91891301

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)cc1OC
InChIInChI=1S/C22H27N5O3/c1-15-14-27-18(21(24-15)26-10-4-5-11-26)13-17(25-27)22(28)23-9-8-16-6-7-19(29-2)20(12-16)30-3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,23,28)
InChIKeySKMLCKLXBWHSHA-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.63
Rot. Bonds7

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91891301) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91891301
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)cc1OC
InChIInChI=1S/C22H27N5O3/c1-15-14-27-18(21(24-15)26-10-4-5-11-26)13-17(25-27)22(28)23-9-8-16-6-7-19(29-2)20(12-16)30-3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,23,28)
InChIKeySKMLCKLXBWHSHA-UHFFFAOYSA-N
XLogP2.63
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91891301) is N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is COc1ccc(CCNC(=O)c2cc3c(N4CCCC4)nc(C)cn3n2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is SKMLCKLXBWHSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-15-14-27-18(21(24-15)26-10-4-5-11-26)13-17(25-27)22(28)23-9-8-16-6-7-19(29-2)20(12-16)30-3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,23,28).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91891301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).