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

C24H23N9O — CID 164850814

IUPAC[7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,5-naphthyridin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
SMILESCc1cc(C2(CN)C3CCN(c4cnc5c(-c6ccnc7cccnc67)[nH]nc5n4)CC32)no1
InChIInChI=1S/C24H23N9O/c1-13-9-18(32-34-13)24(12-25)15-5-8-33(11-16(15)24)19-10-28-22-21(30-31-23(22)29-19)14-4-7-26-17-3-2-6-27-20(14)17/h2-4,6-7,9-10,15-16H,5,8,11-12,25H2,1H3,(H,29,30,31)
InChIKeyUFFWKBBVWFNBFD-UHFFFAOYSA-N
MW453.51 g/mol
LogP2.61
Rot. Bonds4

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

[7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,5-naphthyridin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (PubChem CID 164850814) has the molecular formula C24H23N9O and a molecular weight of 453.51 g/mol. Its IUPAC name is [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,5-naphthyridin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine.

Molecular Properties

Compound Name[7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,5-naphthyridin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
PubChem CID164850814
Molecular FormulaC24H23N9O
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC Name[7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,5-naphthyridin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
SMILESCc1cc(C2(CN)C3CCN(c4cnc5c(-c6ccnc7cccnc67)[nH]nc5n4)CC32)no1
InChIInChI=1S/C24H23N9O/c1-13-9-18(32-34-13)24(12-25)15-5-8-33(11-16(15)24)19-10-28-22-21(30-31-23(22)29-19)14-4-7-26-17-3-2-6-27-20(14)17/h2-4,6-7,9-10,15-16H,5,8,11-12,25H2,1H3,(H,29,30,31)
InChIKeyUFFWKBBVWFNBFD-UHFFFAOYSA-N
XLogP2.61
TPSA135.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,5-naphthyridin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The IUPAC name of [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,5-naphthyridin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (CID 164850814) is [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,5-naphthyridin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine.
What is the SMILES notation for [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,5-naphthyridin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The canonical SMILES for [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,5-naphthyridin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine is Cc1cc(C2(CN)C3CCN(c4cnc5c(-c6ccnc7cccnc67)[nH]nc5n4)CC32)no1.
What is the InChIKey of [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,5-naphthyridin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The InChIKey is UFFWKBBVWFNBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O/c1-13-9-18(32-34-13)24(12-25)15-5-8-33(11-16(15)24)19-10-28-22-21(30-31-23(22)29-19)14-4-7-26-17-3-2-6-27-20(14)17/h2-4,6-7,9-10,15-16H,5,8,11-12,25H2,1H3,(H,29,30,31).
What are the key properties of [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,5-naphthyridin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
[7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,5-naphthyridin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine has a molecular weight of 453.51 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,5-naphthyridin-4-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine is sourced from PubChem (CID 164850814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).