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

C20H19ClN8O — CID 56669084

IUPAC[2-chloro-4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc1Cl)N1CCNCC1
InChIInChI=1S/C20H19ClN8O/c21-16-9-14(1-2-15(16)20(30)28-6-3-22-4-7-28)27-18-19-24-12-17(13-10-25-26-11-13)29(19)8-5-23-18/h1-2,5,8-12,22H,3-4,6-7H2,(H,23,27)(H,25,26)
InChIKeyRSXOTGISRXJCBM-UHFFFAOYSA-N
MW422.88 g/mol
LogP2.56
Rot. Bonds4

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

[2-chloro-4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone (PubChem CID 56669084) has the molecular formula C20H19ClN8O and a molecular weight of 422.88 g/mol. Its IUPAC name is [2-chloro-4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-chloro-4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
PubChem CID56669084
Molecular FormulaC20H19ClN8O
Molecular Weight422.88 g/mol
Exact Mass422.14
IUPAC Name[2-chloro-4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc1Cl)N1CCNCC1
InChIInChI=1S/C20H19ClN8O/c21-16-9-14(1-2-15(16)20(30)28-6-3-22-4-7-28)27-18-19-24-12-17(13-10-25-26-11-13)29(19)8-5-23-18/h1-2,5,8-12,22H,3-4,6-7H2,(H,23,27)(H,25,26)
InChIKeyRSXOTGISRXJCBM-UHFFFAOYSA-N
XLogP2.56
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.88
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [2-chloro-4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone (CID 56669084) is [2-chloro-4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-chloro-4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-chloro-4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone is O=C(c1ccc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc1Cl)N1CCNCC1.
What is the InChIKey of [2-chloro-4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The InChIKey is RSXOTGISRXJCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN8O/c21-16-9-14(1-2-15(16)20(30)28-6-3-22-4-7-28)27-18-19-24-12-17(13-10-25-26-11-13)29(19)8-5-23-18/h1-2,5,8-12,22H,3-4,6-7H2,(H,23,27)(H,25,26).
What are the key properties of [2-chloro-4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
[2-chloro-4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone has a molecular weight of 422.88 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[[3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56669084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).