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

C24H26N8O — CID 56658842

IUPAC[2-cyclopropyl-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(C3CC3)c2)n1
InChIInChI=1S/C24H26N8O/c1-15-14-32-21(17-11-27-28-12-17)13-26-23(32)22(29-15)30-18-4-5-19(20(10-18)16-2-3-16)24(33)31-8-6-25-7-9-31/h4-5,10-14,16,25H,2-3,6-9H2,1H3,(H,27,28)(H,29,30)
InChIKeyKOLMPPLMZOKCEL-UHFFFAOYSA-N
MW442.53 g/mol
LogP3.09
Rot. Bonds5

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

[2-cyclopropyl-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone (PubChem CID 56658842) has the molecular formula C24H26N8O and a molecular weight of 442.53 g/mol. Its IUPAC name is [2-cyclopropyl-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-cyclopropyl-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
PubChem CID56658842
Molecular FormulaC24H26N8O
Molecular Weight442.53 g/mol
Exact Mass442.22
IUPAC Name[2-cyclopropyl-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(C3CC3)c2)n1
InChIInChI=1S/C24H26N8O/c1-15-14-32-21(17-11-27-28-12-17)13-26-23(32)22(29-15)30-18-4-5-19(20(10-18)16-2-3-16)24(33)31-8-6-25-7-9-31/h4-5,10-14,16,25H,2-3,6-9H2,1H3,(H,27,28)(H,29,30)
InChIKeyKOLMPPLMZOKCEL-UHFFFAOYSA-N
XLogP3.09
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.53
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [2-cyclopropyl-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone (CID 56658842) is [2-cyclopropyl-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-cyclopropyl-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-cyclopropyl-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(C3CC3)c2)n1.
What is the InChIKey of [2-cyclopropyl-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The InChIKey is KOLMPPLMZOKCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O/c1-15-14-32-21(17-11-27-28-12-17)13-26-23(32)22(29-15)30-18-4-5-19(20(10-18)16-2-3-16)24(33)31-8-6-25-7-9-31/h4-5,10-14,16,25H,2-3,6-9H2,1H3,(H,27,28)(H,29,30).
What are the key properties of [2-cyclopropyl-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
[2-cyclopropyl-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone has a molecular weight of 442.53 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56658842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).