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

C23H18FN5O2 — CID 91892648

IUPACN-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-5-carboxamide
SMILESO=C(NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H18FN5O2/c24-18-4-1-15(2-5-18)20-14-21-23(31)28(11-12-29(21)27-20)10-9-26-22(30)17-3-6-19-16(13-17)7-8-25-19/h1-8,11-14,25H,9-10H2,(H,26,30)
InChIKeyAMWLZBIIMMEVHJ-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.21
Rot. Bonds5

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

N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-5-carboxamide (PubChem CID 91892648) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-5-carboxamide
PubChem CID91892648
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC NameN-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-5-carboxamide
SMILESO=C(NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H18FN5O2/c24-18-4-1-15(2-5-18)20-14-21-23(31)28(11-12-29(21)27-20)10-9-26-22(30)17-3-6-19-16(13-17)7-8-25-19/h1-8,11-14,25H,9-10H2,(H,26,30)
InChIKeyAMWLZBIIMMEVHJ-UHFFFAOYSA-N
XLogP3.21
TPSA84.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-5-carboxamide?
The IUPAC name of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-5-carboxamide (CID 91892648) is N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-5-carboxamide?
The canonical SMILES for N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-5-carboxamide is O=C(NCCn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-5-carboxamide?
The InChIKey is AMWLZBIIMMEVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c24-18-4-1-15(2-5-18)20-14-21-23(31)28(11-12-29(21)27-20)10-9-26-22(30)17-3-6-19-16(13-17)7-8-25-19/h1-8,11-14,25H,9-10H2,(H,26,30).
What are the key properties of N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-5-carboxamide?
N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-5-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]ethyl]-1H-indole-5-carboxamide is sourced from PubChem (CID 91892648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).