[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone

C22H21F3N8O — CID 56672679

IUPAC[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(C(F)(F)F)c2)n1
InChIInChI=1S/C22H21F3N8O/c1-13-12-33-18(14-9-28-29-10-14)11-27-20(33)19(30-13)31-15-2-3-16(17(8-15)22(23,24)25)21(34)32-6-4-26-5-7-32/h2-3,8-12,26H,4-7H2,1H3,(H,28,29)(H,30,31)
InChIKeyTYNGHODBFDMDKR-UHFFFAOYSA-N
MW470.46 g/mol
LogP3.24
Rot. Bonds4

About [4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone

[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone (PubChem CID 56672679) has the molecular formula C22H21F3N8O and a molecular weight of 470.46 g/mol. Its IUPAC name is [4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone
PubChem CID56672679
Molecular FormulaC22H21F3N8O
Molecular Weight470.46 g/mol
Exact Mass470.18
IUPAC Name[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(C(F)(F)F)c2)n1
InChIInChI=1S/C22H21F3N8O/c1-13-12-33-18(14-9-28-29-10-14)11-27-20(33)19(30-13)31-15-2-3-16(17(8-15)22(23,24)25)21(34)32-6-4-26-5-7-32/h2-3,8-12,26H,4-7H2,1H3,(H,28,29)(H,30,31)
InChIKeyTYNGHODBFDMDKR-UHFFFAOYSA-N
XLogP3.24
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.46
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone (CID 56672679) is [4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(C(F)(F)F)c2)n1.
What is the InChIKey of [4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone?
The InChIKey is TYNGHODBFDMDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N8O/c1-13-12-33-18(14-9-28-29-10-14)11-27-20(33)19(30-13)31-15-2-3-16(17(8-15)22(23,24)25)21(34)32-6-4-26-5-7-32/h2-3,8-12,26H,4-7H2,1H3,(H,28,29)(H,30,31).
What are the key properties of [4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone?
[4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone has a molecular weight of 470.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-(trifluoromethyl)phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56672679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).