[(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone

C25H24N10O — CID 73350474

IUPAC[(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESNc1nc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncn[nH]2)cn2c(-c3cnn(-c4ccccc4)c3)cnc12
InChIInChI=1S/C25H24N10O/c26-22-24-27-11-21(16-10-30-34(12-16)17-4-2-1-3-5-17)33(24)13-20(31-22)15-8-18-6-7-19(9-15)35(18)25(36)23-28-14-29-32-23/h1-5,10-15,18-19H,6-9H2,(H2,26,31)(H,28,29,32)/t15?,18-,19+
InChIKeyFUTGBNURKSJNDA-QNBRMCRTSA-N
MW480.54 g/mol
LogP2.83
Rot. Bonds4

About [(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone

[(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 73350474) has the molecular formula C25H24N10O and a molecular weight of 480.54 g/mol. Its IUPAC name is [(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name[(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID73350474
Molecular FormulaC25H24N10O
Molecular Weight480.54 g/mol
Exact Mass480.21
IUPAC Name[(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone
SMILESNc1nc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncn[nH]2)cn2c(-c3cnn(-c4ccccc4)c3)cnc12
InChIInChI=1S/C25H24N10O/c26-22-24-27-11-21(16-10-30-34(12-16)17-4-2-1-3-5-17)33(24)13-20(31-22)15-8-18-6-7-19(9-15)35(18)25(36)23-28-14-29-32-23/h1-5,10-15,18-19H,6-9H2,(H2,26,31)(H,28,29,32)/t15?,18-,19+
InChIKeyFUTGBNURKSJNDA-QNBRMCRTSA-N
XLogP2.83
TPSA135.91 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.54
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of [(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone (CID 73350474) is [(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for [(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for [(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone is Nc1nc(C2C[C@H]3CC[C@@H](C2)N3C(=O)c2ncn[nH]2)cn2c(-c3cnn(-c4ccccc4)c3)cnc12.
What is the InChIKey of [(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is FUTGBNURKSJNDA-QNBRMCRTSA-N. The full InChI is InChI=1S/C25H24N10O/c26-22-24-27-11-21(16-10-30-34(12-16)17-4-2-1-3-5-17)33(24)13-20(31-22)15-8-18-6-7-19(9-15)35(18)25(36)23-28-14-29-32-23/h1-5,10-15,18-19H,6-9H2,(H2,26,31)(H,28,29,32)/t15?,18-,19+.
What are the key properties of [(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone?
[(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 480.54 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-[8-amino-3-(1-phenylpyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl]-8-azabicyclo[3.2.1]octan-8-yl]-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 73350474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).