(3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone

C23H25FN8O — CID 56662182

IUPAC(3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNC(C)(C)C3)cc2F)n1
InChIInChI=1S/C23H25FN8O/c1-14-12-32-19(16-9-27-28-10-16)11-25-21(32)20(29-14)30-18-5-4-15(8-17(18)24)22(33)31-7-6-26-23(2,3)13-31/h4-5,8-12,26H,6-7,13H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyLDQVLKOHPKFODX-UHFFFAOYSA-N
MW448.51 g/mol
LogP3.13
Rot. Bonds4

About (3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone

(3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone (PubChem CID 56662182) has the molecular formula C23H25FN8O and a molecular weight of 448.51 g/mol. Its IUPAC name is (3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone
PubChem CID56662182
Molecular FormulaC23H25FN8O
Molecular Weight448.51 g/mol
Exact Mass448.21
IUPAC Name(3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNC(C)(C)C3)cc2F)n1
InChIInChI=1S/C23H25FN8O/c1-14-12-32-19(16-9-27-28-10-16)11-25-21(32)20(29-14)30-18-5-4-15(8-17(18)24)22(33)31-7-6-26-23(2,3)13-31/h4-5,8-12,26H,6-7,13H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyLDQVLKOHPKFODX-UHFFFAOYSA-N
XLogP3.13
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone (CID 56662182) is (3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNC(C)(C)C3)cc2F)n1.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone?
The InChIKey is LDQVLKOHPKFODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN8O/c1-14-12-32-19(16-9-27-28-10-16)11-25-21(32)20(29-14)30-18-5-4-15(8-17(18)24)22(33)31-7-6-26-23(2,3)13-31/h4-5,8-12,26H,6-7,13H2,1-3H3,(H,27,28)(H,29,30).
What are the key properties of (3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone?
(3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone has a molecular weight of 448.51 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperazin-1-yl)-[3-fluoro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]methanone is sourced from PubChem (CID 56662182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).