[2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone

C23H22ClN7O — CID 56669083

IUPAC[2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone
SMILESCc1cn2c(-c3cccnc3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1
InChIInChI=1S/C23H22ClN7O/c1-15-14-31-20(16-3-2-6-26-12-16)13-27-22(31)21(28-15)29-17-4-5-18(19(24)11-17)23(32)30-9-7-25-8-10-30/h2-6,11-14,25H,7-10H2,1H3,(H,28,29)
InChIKeyMGHJRNGQGYUSFX-UHFFFAOYSA-N
MW447.93 g/mol
LogP3.54
Rot. Bonds4

About [2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone

[2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone (PubChem CID 56669083) has the molecular formula C23H22ClN7O and a molecular weight of 447.93 g/mol. Its IUPAC name is [2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone
PubChem CID56669083
Molecular FormulaC23H22ClN7O
Molecular Weight447.93 g/mol
Exact Mass447.16
IUPAC Name[2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone
SMILESCc1cn2c(-c3cccnc3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1
InChIInChI=1S/C23H22ClN7O/c1-15-14-31-20(16-3-2-6-26-12-16)13-27-22(31)21(28-15)29-17-4-5-18(19(24)11-17)23(32)30-9-7-25-8-10-30/h2-6,11-14,25H,7-10H2,1H3,(H,28,29)
InChIKeyMGHJRNGQGYUSFX-UHFFFAOYSA-N
XLogP3.54
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone (CID 56669083) is [2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone is Cc1cn2c(-c3cccnc3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1.
What is the InChIKey of [2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone?
The InChIKey is MGHJRNGQGYUSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN7O/c1-15-14-31-20(16-3-2-6-26-12-16)13-27-22(31)21(28-15)29-17-4-5-18(19(24)11-17)23(32)30-9-7-25-8-10-30/h2-6,11-14,25H,7-10H2,1H3,(H,28,29).
What are the key properties of [2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone?
[2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone has a molecular weight of 447.93 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(6-methyl-3-pyridin-3-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56669083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).