N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine

C18H19N7 — CID 154866088

IUPACN-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine
SMILESCn1cc(N2CCC(Nc3nc4ccccc4n4cncc34)C2)cn1
InChIInChI=1S/C18H19N7/c1-23-11-14(8-20-23)24-7-6-13(10-24)21-18-17-9-19-12-25(17)16-5-3-2-4-15(16)22-18/h2-5,8-9,11-13H,6-7,10H2,1H3,(H,21,22)
InChIKeyWXQVHCGXXOCUJT-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.31
Rot. Bonds3

About N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine

N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine (PubChem CID 154866088) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine
PubChem CID154866088
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC NameN-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine
SMILESCn1cc(N2CCC(Nc3nc4ccccc4n4cncc34)C2)cn1
InChIInChI=1S/C18H19N7/c1-23-11-14(8-20-23)24-7-6-13(10-24)21-18-17-9-19-12-25(17)16-5-3-2-4-15(16)22-18/h2-5,8-9,11-13H,6-7,10H2,1H3,(H,21,22)
InChIKeyWXQVHCGXXOCUJT-UHFFFAOYSA-N
XLogP2.31
TPSA63.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine (CID 154866088) is N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine is Cn1cc(N2CCC(Nc3nc4ccccc4n4cncc34)C2)cn1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine?
The InChIKey is WXQVHCGXXOCUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-23-11-14(8-20-23)24-7-6-13(10-24)21-18-17-9-19-12-25(17)16-5-3-2-4-15(16)22-18/h2-5,8-9,11-13H,6-7,10H2,1H3,(H,21,22).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine?
N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine has a molecular weight of 333.40 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]imidazo[1,5-a]quinoxalin-4-amine is sourced from PubChem (CID 154866088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).