[2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone

C25H25ClN8O — CID 56665634

IUPAC[2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone
SMILESO=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)cc1Cl)N1C[C@H]2CC[C@@H]1CN2
InChIInChI=1S/C25H25ClN8O/c26-20-7-16(4-6-19(20)25(35)33-12-17-3-5-18(33)10-27-17)31-23-24-28-11-22(15-8-29-30-9-15)34(24)13-21(32-23)14-1-2-14/h4,6-9,11,13-14,17-18,27H,1-3,5,10,12H2,(H,29,30)(H,31,32)/t17-,18-/m1/s1
InChIKeyZCIUSITUWMIQKV-QZTJIDSGSA-N
MW488.98 g/mol
LogP3.97
Rot. Bonds5

About [2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone

[2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone (PubChem CID 56665634) has the molecular formula C25H25ClN8O and a molecular weight of 488.98 g/mol. Its IUPAC name is [2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone.

Molecular Properties

Compound Name[2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone
PubChem CID56665634
Molecular FormulaC25H25ClN8O
Molecular Weight488.98 g/mol
Exact Mass488.18
IUPAC Name[2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone
SMILESO=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)cc1Cl)N1C[C@H]2CC[C@@H]1CN2
InChIInChI=1S/C25H25ClN8O/c26-20-7-16(4-6-19(20)25(35)33-12-17-3-5-18(33)10-27-17)31-23-24-28-11-22(15-8-29-30-9-15)34(24)13-21(32-23)14-1-2-14/h4,6-9,11,13-14,17-18,27H,1-3,5,10,12H2,(H,29,30)(H,31,32)/t17-,18-/m1/s1
InChIKeyZCIUSITUWMIQKV-QZTJIDSGSA-N
XLogP3.97
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone?
The IUPAC name of [2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone (CID 56665634) is [2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone.
What is the SMILES notation for [2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone?
The canonical SMILES for [2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone is O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)cc1Cl)N1C[C@H]2CC[C@@H]1CN2.
What is the InChIKey of [2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone?
The InChIKey is ZCIUSITUWMIQKV-QZTJIDSGSA-N. The full InChI is InChI=1S/C25H25ClN8O/c26-20-7-16(4-6-19(20)25(35)33-12-17-3-5-18(33)10-27-17)31-23-24-28-11-22(15-8-29-30-9-15)34(24)13-21(32-23)14-1-2-14/h4,6-9,11,13-14,17-18,27H,1-3,5,10,12H2,(H,29,30)(H,31,32)/t17-,18-/m1/s1.
What are the key properties of [2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone?
[2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone has a molecular weight of 488.98 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-[(1R,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]methanone is sourced from PubChem (CID 56665634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).