N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C23H24N6O3 — CID 91892712

IUPACN-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4n[nH]c5c4CCCC5)ccn3n2)cc1
InChIInChI=1S/C23H24N6O3/c1-32-16-8-6-15(7-9-16)19-14-20-23(31)28(12-13-29(20)27-19)11-10-24-22(30)21-17-4-2-3-5-18(17)25-26-21/h6-9,12-14H,2-5,10-11H2,1H3,(H,24,30)(H,25,26)
InChIKeyGKRLDSNWWCXSTK-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.20
Rot. Bonds6

About N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 91892712) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID91892712
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC NameN-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOc1ccc(-c2cc3c(=O)n(CCNC(=O)c4n[nH]c5c4CCCC5)ccn3n2)cc1
InChIInChI=1S/C23H24N6O3/c1-32-16-8-6-15(7-9-16)19-14-20-23(31)28(12-13-29(20)27-19)11-10-24-22(30)21-17-4-2-3-5-18(17)25-26-21/h6-9,12-14H,2-5,10-11H2,1H3,(H,24,30)(H,25,26)
InChIKeyGKRLDSNWWCXSTK-UHFFFAOYSA-N
XLogP2.20
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 91892712) is N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is COc1ccc(-c2cc3c(=O)n(CCNC(=O)c4n[nH]c5c4CCCC5)ccn3n2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is GKRLDSNWWCXSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-32-16-8-6-15(7-9-16)19-14-20-23(31)28(12-13-29(20)27-19)11-10-24-22(30)21-17-4-2-3-5-18(17)25-26-21/h6-9,12-14H,2-5,10-11H2,1H3,(H,24,30)(H,25,26).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 91892712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).