[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol

C19H19N5O — CID 16678446

IUPAC[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol
SMILESNc1nccn2c(C3CC(CO)C3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C19H19N5O/c20-18-17-16(15-9-12-3-1-2-4-14(12)22-15)23-19(24(17)6-5-21-18)13-7-11(8-13)10-25/h1-6,9,11,13,22,25H,7-8,10H2,(H2,20,21)
InChIKeyTYONPRZLEHJDIV-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.95
Rot. Bonds3

About [3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol

[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol (PubChem CID 16678446) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is [3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol
PubChem CID16678446
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol
SMILESNc1nccn2c(C3CC(CO)C3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C19H19N5O/c20-18-17-16(15-9-12-3-1-2-4-14(12)22-15)23-19(24(17)6-5-21-18)13-7-11(8-13)10-25/h1-6,9,11,13,22,25H,7-8,10H2,(H2,20,21)
InChIKeyTYONPRZLEHJDIV-UHFFFAOYSA-N
XLogP2.95
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol?
The IUPAC name of [3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol (CID 16678446) is [3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol.
What is the SMILES notation for [3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol?
The canonical SMILES for [3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol is Nc1nccn2c(C3CC(CO)C3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of [3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol?
The InChIKey is TYONPRZLEHJDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c20-18-17-16(15-9-12-3-1-2-4-14(12)22-15)23-19(24(17)6-5-21-18)13-7-11(8-13)10-25/h1-6,9,11,13,22,25H,7-8,10H2,(H2,20,21).
What are the key properties of [3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol?
[3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol has a molecular weight of 333.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]methanol is sourced from PubChem (CID 16678446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).