[3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine

C24H25N9O — CID 164851024

IUPAC[3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
SMILESCc1cc(C2(CN)C3CCN(c4cnc5c(-c6cccc7nn(C)cc67)[nH]nc5n4)CC32)no1
InChIInChI=1S/C24H25N9O/c1-13-8-19(31-34-13)24(12-25)16-6-7-33(11-17(16)24)20-9-26-22-21(28-29-23(22)27-20)14-4-3-5-18-15(14)10-32(2)30-18/h3-5,8-10,16-17H,6-7,11-12,25H2,1-2H3,(H,27,28,29)
InChIKeyLPAUMYZWAWWOMC-UHFFFAOYSA-N
MW455.53 g/mol
LogP2.56
Rot. Bonds4

About [3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine

[3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (PubChem CID 164851024) has the molecular formula C24H25N9O and a molecular weight of 455.53 g/mol. Its IUPAC name is [3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine.

Molecular Properties

Compound Name[3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
PubChem CID164851024
Molecular FormulaC24H25N9O
Molecular Weight455.53 g/mol
Exact Mass455.22
IUPAC Name[3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
SMILESCc1cc(C2(CN)C3CCN(c4cnc5c(-c6cccc7nn(C)cc67)[nH]nc5n4)CC32)no1
InChIInChI=1S/C24H25N9O/c1-13-8-19(31-34-13)24(12-25)16-6-7-33(11-17(16)24)20-9-26-22-21(28-29-23(22)27-20)14-4-3-5-18-15(14)10-32(2)30-18/h3-5,8-10,16-17H,6-7,11-12,25H2,1-2H3,(H,27,28,29)
InChIKeyLPAUMYZWAWWOMC-UHFFFAOYSA-N
XLogP2.56
TPSA127.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The IUPAC name of [3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (CID 164851024) is [3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine.
What is the SMILES notation for [3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The canonical SMILES for [3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine is Cc1cc(C2(CN)C3CCN(c4cnc5c(-c6cccc7nn(C)cc67)[nH]nc5n4)CC32)no1.
What is the InChIKey of [3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The InChIKey is LPAUMYZWAWWOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O/c1-13-8-19(31-34-13)24(12-25)16-6-7-33(11-17(16)24)20-9-26-22-21(28-29-23(22)27-20)14-4-3-5-18-15(14)10-32(2)30-18/h3-5,8-10,16-17H,6-7,11-12,25H2,1-2H3,(H,27,28,29).
What are the key properties of [3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
[3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine has a molecular weight of 455.53 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methylindazol-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-7-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine is sourced from PubChem (CID 164851024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).