6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide

C22H21N5O4 — CID 91892690

IUPAC6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(OC)nc4)ccn3n2)cc1
InChIInChI=1S/C22H21N5O4/c1-30-17-6-3-15(4-7-17)18-13-19-22(29)26(11-12-27(19)25-18)10-9-23-21(28)16-5-8-20(31-2)24-14-16/h3-8,11-14H,9-10H2,1-2H3,(H,23,28)
InChIKeyUFILFFRUTZOCLR-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.01
Rot. Bonds7

About 6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide

6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide (PubChem CID 91892690) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide
PubChem CID91892690
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(OC)nc4)ccn3n2)cc1
InChIInChI=1S/C22H21N5O4/c1-30-17-6-3-15(4-7-17)18-13-19-22(29)26(11-12-27(19)25-18)10-9-23-21(28)16-5-8-20(31-2)24-14-16/h3-8,11-14H,9-10H2,1-2H3,(H,23,28)
InChIKeyUFILFFRUTZOCLR-UHFFFAOYSA-N
XLogP2.01
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide (CID 91892690) is 6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide is COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc(OC)nc4)ccn3n2)cc1.
What is the InChIKey of 6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is UFILFFRUTZOCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-30-17-6-3-15(4-7-17)18-13-19-22(29)26(11-12-27(19)25-18)10-9-23-21(28)16-5-8-20(31-2)24-14-16/h3-8,11-14H,9-10H2,1-2H3,(H,23,28).
What are the key properties of 6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide?
6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 91892690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).