[4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid

C20H23N7O3 — CID 164908487

IUPAC[4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid
SMILESNC(=O)c1cn2cc(-c3ccncc3)nc(NC3CCC(CNC(=O)O)CC3)c2n1
InChIInChI=1S/C20H23N7O3/c21-17(28)16-11-27-10-15(13-5-7-22-8-6-13)25-18(19(27)26-16)24-14-3-1-12(2-4-14)9-23-20(29)30/h5-8,10-12,14,23H,1-4,9H2,(H2,21,28)(H,24,25)(H,29,30)
InChIKeyHFOQXBJWDLSFEX-UHFFFAOYSA-N
MW409.45 g/mol
LogP2.13
Rot. Bonds6

About [4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid

[4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid (PubChem CID 164908487) has the molecular formula C20H23N7O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is [4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid
PubChem CID164908487
Molecular FormulaC20H23N7O3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Name[4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid
SMILESNC(=O)c1cn2cc(-c3ccncc3)nc(NC3CCC(CNC(=O)O)CC3)c2n1
InChIInChI=1S/C20H23N7O3/c21-17(28)16-11-27-10-15(13-5-7-22-8-6-13)25-18(19(27)26-16)24-14-3-1-12(2-4-14)9-23-20(29)30/h5-8,10-12,14,23H,1-4,9H2,(H2,21,28)(H,24,25)(H,29,30)
InChIKeyHFOQXBJWDLSFEX-UHFFFAOYSA-N
XLogP2.13
TPSA147.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid?
The IUPAC name of [4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid (CID 164908487) is [4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid.
What is the SMILES notation for [4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid?
The canonical SMILES for [4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid is NC(=O)c1cn2cc(-c3ccncc3)nc(NC3CCC(CNC(=O)O)CC3)c2n1.
What is the InChIKey of [4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid?
The InChIKey is HFOQXBJWDLSFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O3/c21-17(28)16-11-27-10-15(13-5-7-22-8-6-13)25-18(19(27)26-16)24-14-3-1-12(2-4-14)9-23-20(29)30/h5-8,10-12,14,23H,1-4,9H2,(H2,21,28)(H,24,25)(H,29,30).
What are the key properties of [4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid?
[4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid has a molecular weight of 409.45 g/mol, XLogP of 2.13, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-carbamoyl-6-pyridin-4-ylimidazo[1,2-a]pyrazin-8-yl)amino]cyclohexyl]methylcarbamic acid is sourced from PubChem (CID 164908487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).