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

C18H20N6O — CID 91891308

IUPAC6-methyl-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCc3cccnc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C18H20N6O/c1-13-12-24-16(17(21-13)23-7-2-3-8-23)9-15(22-24)18(25)20-11-14-5-4-6-19-10-14/h4-6,9-10,12H,2-3,7-8,11H2,1H3,(H,20,25)
InChIKeyHGSDKUFRYJYMSQ-UHFFFAOYSA-N
MW336.40 g/mol
LogP1.96
Rot. Bonds4

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

6-methyl-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 91891308) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-methyl-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID91891308
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name6-methyl-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1cn2nc(C(=O)NCc3cccnc3)cc2c(N2CCCC2)n1
InChIInChI=1S/C18H20N6O/c1-13-12-24-16(17(21-13)23-7-2-3-8-23)9-15(22-24)18(25)20-11-14-5-4-6-19-10-14/h4-6,9-10,12H,2-3,7-8,11H2,1H3,(H,20,25)
InChIKeyHGSDKUFRYJYMSQ-UHFFFAOYSA-N
XLogP1.96
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide (CID 91891308) is 6-methyl-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1cn2nc(C(=O)NCc3cccnc3)cc2c(N2CCCC2)n1.
What is the InChIKey of 6-methyl-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is HGSDKUFRYJYMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-13-12-24-16(17(21-13)23-7-2-3-8-23)9-15(22-24)18(25)20-11-14-5-4-6-19-10-14/h4-6,9-10,12H,2-3,7-8,11H2,1H3,(H,20,25).
What are the key properties of 6-methyl-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide?
6-methyl-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylpyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 91891308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).