N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide

C25H23N5O2 — CID 91892873

IUPACN-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide
SMILESCc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5cc[nH]c5c4)ccn3n2)cc1C
InChIInChI=1S/C25H23N5O2/c1-16-3-4-19(13-17(16)2)22-15-23-25(32)29(11-12-30(23)28-22)10-9-27-24(31)20-6-5-18-7-8-26-21(18)14-20/h3-8,11-15,26H,9-10H2,1-2H3,(H,27,31)
InChIKeyCRJVPWXLCFVTCM-UHFFFAOYSA-N
MW425.49 g/mol
LogP3.69
Rot. Bonds5

About N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide

N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide (PubChem CID 91892873) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide
PubChem CID91892873
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide
SMILESCc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5cc[nH]c5c4)ccn3n2)cc1C
InChIInChI=1S/C25H23N5O2/c1-16-3-4-19(13-17(16)2)22-15-23-25(32)29(11-12-30(23)28-22)10-9-27-24(31)20-6-5-18-7-8-26-21(18)14-20/h3-8,11-15,26H,9-10H2,1-2H3,(H,27,31)
InChIKeyCRJVPWXLCFVTCM-UHFFFAOYSA-N
XLogP3.69
TPSA84.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide (CID 91892873) is N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide is Cc1ccc(-c2cc3c(=O)n(CCNC(=O)c4ccc5cc[nH]c5c4)ccn3n2)cc1C.
What is the InChIKey of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide?
The InChIKey is CRJVPWXLCFVTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-16-3-4-19(13-17(16)2)22-15-23-25(32)29(11-12-30(23)28-22)10-9-27-24(31)20-6-5-18-7-8-26-21(18)14-20/h3-8,11-15,26H,9-10H2,1-2H3,(H,27,31).
What are the key properties of N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide?
N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,4-dimethylphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 91892873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).