3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine

C26H27FN6 — CID 162493301

IUPAC3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCC(C)c1cnc2c(NCCc3c[nH]c4c3C=CC=CC4)nc(-c3cncc(F)c3)cn12
InChIInChI=1S/C26H27FN6/c1-3-17(2)24-15-31-26-25(32-23(16-33(24)26)19-11-20(27)14-28-12-19)29-10-9-18-13-30-22-8-6-4-5-7-21(18)22/h4-7,11-17,30H,3,8-10H2,1-2H3,(H,29,32)
InChIKeySVEQXZABKSPFHC-UHFFFAOYSA-N
MW442.54 g/mol
LogP5.55
Rot. Bonds7

About 3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine

3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 162493301) has the molecular formula C26H27FN6 and a molecular weight of 442.54 g/mol. Its IUPAC name is 3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID162493301
Molecular FormulaC26H27FN6
Molecular Weight442.54 g/mol
Exact Mass442.23
IUPAC Name3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCCC(C)c1cnc2c(NCCc3c[nH]c4c3C=CC=CC4)nc(-c3cncc(F)c3)cn12
InChIInChI=1S/C26H27FN6/c1-3-17(2)24-15-31-26-25(32-23(16-33(24)26)19-11-20(27)14-28-12-19)29-10-9-18-13-30-22-8-6-4-5-7-21(18)22/h4-7,11-17,30H,3,8-10H2,1-2H3,(H,29,32)
InChIKeySVEQXZABKSPFHC-UHFFFAOYSA-N
XLogP5.55
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine (CID 162493301) is 3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine is CCC(C)c1cnc2c(NCCc3c[nH]c4c3C=CC=CC4)nc(-c3cncc(F)c3)cn12.
What is the InChIKey of 3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is SVEQXZABKSPFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6/c1-3-17(2)24-15-31-26-25(32-23(16-33(24)26)19-11-20(27)14-28-12-19)29-10-9-18-13-30-22-8-6-4-5-7-21(18)22/h4-7,11-17,30H,3,8-10H2,1-2H3,(H,29,32).
What are the key properties of 3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 442.54 g/mol, XLogP of 5.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-N-[2-(1,8-dihydrocyclohepta[b]pyrrol-3-yl)ethyl]-6-(5-fluoro-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 162493301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).