7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one

C27H27N7O2 — CID 167295625

IUPAC7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(-c3cnc4cnccn34)ccc(Nc3ccc(CC4C[C@H]5C[C@@H](O)C[C@@H]4N5)cn3)c21
InChIInChI=1S/C27H27N7O2/c35-18-9-17-8-16(22(10-18)32-17)7-15-1-4-24(29-11-15)33-21-3-2-19(20-12-31-27(36)26(20)21)23-13-30-25-14-28-5-6-34(23)25/h1-6,11,13-14,16-18,22,32,35H,7-10,12H2,(H,29,33)(H,31,36)/t16?,17-,18+,22-/m0/s1
InChIKeyMYSIKNHJJSMQRX-UELCKLHCSA-N
MW481.56 g/mol
LogP2.82
Rot. Bonds5

About 7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one

7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one (PubChem CID 167295625) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one
PubChem CID167295625
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c(-c3cnc4cnccn34)ccc(Nc3ccc(CC4C[C@H]5C[C@@H](O)C[C@@H]4N5)cn3)c21
InChIInChI=1S/C27H27N7O2/c35-18-9-17-8-16(22(10-18)32-17)7-15-1-4-24(29-11-15)33-21-3-2-19(20-12-31-27(36)26(20)21)23-13-30-25-14-28-5-6-34(23)25/h1-6,11,13-14,16-18,22,32,35H,7-10,12H2,(H,29,33)(H,31,36)/t16?,17-,18+,22-/m0/s1
InChIKeyMYSIKNHJJSMQRX-UELCKLHCSA-N
XLogP2.82
TPSA116.47 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one (CID 167295625) is 7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one is O=C1NCc2c(-c3cnc4cnccn34)ccc(Nc3ccc(CC4C[C@H]5C[C@@H](O)C[C@@H]4N5)cn3)c21.
What is the InChIKey of 7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one?
The InChIKey is MYSIKNHJJSMQRX-UELCKLHCSA-N. The full InChI is InChI=1S/C27H27N7O2/c35-18-9-17-8-16(22(10-18)32-17)7-15-1-4-24(29-11-15)33-21-3-2-19(20-12-31-27(36)26(20)21)23-13-30-25-14-28-5-6-34(23)25/h1-6,11,13-14,16-18,22,32,35H,7-10,12H2,(H,29,33)(H,31,36)/t16?,17-,18+,22-/m0/s1.
What are the key properties of 7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one?
7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one has a molecular weight of 481.56 g/mol, XLogP of 2.82, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-[[(1S,3R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-6-yl]methyl]-2-pyridinyl]amino]-4-imidazo[1,2-a]pyrazin-3-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 167295625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).