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

C23H23N9O — CID 164851080

IUPAC[(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-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(-c6cccn7nccc67)[nH]nc5n4)C[C@@H]32)no1
InChIInChI=1S/C23H23N9O/c1-13-9-18(30-33-13)23(12-24)15-5-8-31(11-16(15)23)19-10-25-21-20(28-29-22(21)27-19)14-3-2-7-32-17(14)4-6-26-32/h2-4,6-7,9-10,15-16H,5,8,11-12,24H2,1H3,(H,27,28,29)/t15-,16+,23+/m1/s1
InChIKeyYSDDXSCHMSWLTF-SYJLOODJSA-N
MW441.50 g/mol
LogP2.32
Rot. Bonds4

About [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-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-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (PubChem CID 164851080) has the molecular formula C23H23N9O and a molecular weight of 441.50 g/mol. Its IUPAC name is [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-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-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine
PubChem CID164851080
Molecular FormulaC23H23N9O
Molecular Weight441.50 g/mol
Exact Mass441.20
IUPAC Name[(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-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(-c6cccn7nccc67)[nH]nc5n4)C[C@@H]32)no1
InChIInChI=1S/C23H23N9O/c1-13-9-18(30-33-13)23(12-24)15-5-8-31(11-16(15)23)19-10-25-21-20(28-29-22(21)27-19)14-3-2-7-32-17(14)4-6-26-32/h2-4,6-7,9-10,15-16H,5,8,11-12,24H2,1H3,(H,27,28,29)/t15-,16+,23+/m1/s1
InChIKeyYSDDXSCHMSWLTF-SYJLOODJSA-N
XLogP2.32
TPSA127.05 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-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-pyrazolo[1,5-a]pyridin-4-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-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine (CID 164851080) is [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyrazolo[1,5-a]pyridin-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 [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-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-pyrazolo[1,5-a]pyridin-4-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(-c6cccn7nccc67)[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-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine?
The InChIKey is YSDDXSCHMSWLTF-SYJLOODJSA-N. The full InChI is InChI=1S/C23H23N9O/c1-13-9-18(30-33-13)23(12-24)15-5-8-31(11-16(15)23)19-10-25-21-20(28-29-22(21)27-19)14-3-2-7-32-17(14)4-6-26-32/h2-4,6-7,9-10,15-16H,5,8,11-12,24H2,1H3,(H,27,28,29)/t15-,16+,23+/m1/s1.
What are the key properties of [(1S,6R,7S)-7-(5-methyl-1,2-oxazol-3-yl)-3-(3-pyrazolo[1,5-a]pyridin-4-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-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine has a molecular weight of 441.50 g/mol, XLogP of 2.32, 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-pyrazolo[1,5-a]pyridin-4-yl-2H-pyrazolo[3,4-b]pyrazin-6-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methanamine is sourced from PubChem (CID 164851080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).