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

C22H22ClN7O — CID 56679375

IUPAC[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperidin-1-ylmethanone
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)n1
InChIInChI=1S/C22H22ClN7O/c1-14-13-30-19(15-10-25-26-11-15)12-24-21(30)20(27-14)28-16-5-6-17(18(23)9-16)22(31)29-7-3-2-4-8-29/h5-6,9-13H,2-4,7-8H2,1H3,(H,25,26)(H,27,28)
InChIKeyDCOAVQONBATLSC-UHFFFAOYSA-N
MW435.92 g/mol
LogP4.45
Rot. Bonds4

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

[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperidin-1-ylmethanone (PubChem CID 56679375) has the molecular formula C22H22ClN7O and a molecular weight of 435.92 g/mol. Its IUPAC name is [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperidin-1-ylmethanone
PubChem CID56679375
Molecular FormulaC22H22ClN7O
Molecular Weight435.92 g/mol
Exact Mass435.16
IUPAC Name[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperidin-1-ylmethanone
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)n1
InChIInChI=1S/C22H22ClN7O/c1-14-13-30-19(15-10-25-26-11-15)12-24-21(30)20(27-14)28-16-5-6-17(18(23)9-16)22(31)29-7-3-2-4-8-29/h5-6,9-13H,2-4,7-8H2,1H3,(H,25,26)(H,27,28)
InChIKeyDCOAVQONBATLSC-UHFFFAOYSA-N
XLogP4.45
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperidin-1-ylmethanone (CID 56679375) is [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperidin-1-ylmethanone is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCCCC3)c(Cl)c2)n1.
What is the InChIKey of [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperidin-1-ylmethanone?
The InChIKey is DCOAVQONBATLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN7O/c1-14-13-30-19(15-10-25-26-11-15)12-24-21(30)20(27-14)28-16-5-6-17(18(23)9-16)22(31)29-7-3-2-4-8-29/h5-6,9-13H,2-4,7-8H2,1H3,(H,25,26)(H,27,28).
What are the key properties of [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperidin-1-ylmethanone?
[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperidin-1-ylmethanone has a molecular weight of 435.92 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56679375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).