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

C24H23N9O — CID 164850949

IUPAC[(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,7-naphthyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
SMILESCc1cc([C@@]2(CN)[C@@H]3CCN(c4cnc5c(-c6cncc7ncccc67)[nH]nc5n4)C[C@@H]32)no1
InChIInChI=1S/C24H23N9O/c1-13-7-19(32-34-13)24(12-25)16-4-6-33(11-17(16)24)20-10-28-22-21(30-31-23(22)29-20)15-8-26-9-18-14(15)3-2-5-27-18/h2-3,5,7-10,16-17H,4,6,11-12,25H2,1H3,(H,29,30,31)/t16-,17+,24+/m1/s1
InChIKeyFIUZSECYTJGLCU-KCYKTTMJSA-N
MW453.51 g/mol
LogP2.61
Rot. Bonds4

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

[(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,7-naphthyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (PubChem CID 164850949) has the molecular formula C24H23N9O and a molecular weight of 453.51 g/mol. Its IUPAC name is [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,7-naphthyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine.

Molecular Properties

Compound Name[(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,7-naphthyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
PubChem CID164850949
Molecular FormulaC24H23N9O
Molecular Weight453.51 g/mol
Exact Mass453.20
IUPAC Name[(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,7-naphthyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
SMILESCc1cc([C@@]2(CN)[C@@H]3CCN(c4cnc5c(-c6cncc7ncccc67)[nH]nc5n4)C[C@@H]32)no1
InChIInChI=1S/C24H23N9O/c1-13-7-19(32-34-13)24(12-25)16-4-6-33(11-17(16)24)20-10-28-22-21(30-31-23(22)29-20)15-8-26-9-18-14(15)3-2-5-27-18/h2-3,5,7-10,16-17H,4,6,11-12,25H2,1H3,(H,29,30,31)/t16-,17+,24+/m1/s1
InChIKeyFIUZSECYTJGLCU-KCYKTTMJSA-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 [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,7-naphthyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-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 [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,7-naphthyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The IUPAC name of [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,7-naphthyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (CID 164850949) is [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,7-naphthyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine.
What is the SMILES notation for [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,7-naphthyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The canonical SMILES for [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,7-naphthyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine is Cc1cc([C@@]2(CN)[C@@H]3CCN(c4cnc5c(-c6cncc7ncccc67)[nH]nc5n4)C[C@@H]32)no1.
What is the InChIKey of [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,7-naphthyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The InChIKey is FIUZSECYTJGLCU-KCYKTTMJSA-N. The full InChI is InChI=1S/C24H23N9O/c1-13-7-19(32-34-13)24(12-25)16-4-6-33(11-17(16)24)20-10-28-22-21(30-31-23(22)29-20)15-8-26-9-18-14(15)3-2-5-27-18/h2-3,5,7-10,16-17H,4,6,11-12,25H2,1H3,(H,29,30,31)/t16-,17+,24+/m1/s1.
What are the key properties of [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,7-naphthyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
[(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,7-naphthyridin-5-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 [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-[3-(1,7-naphthyridin-5-yl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-azabicyclo[4.1.0]heptan-7-yl]methanamine is sourced from PubChem (CID 164850949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).