[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

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

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Related Compounds

N-[[4-[[(2S)-4-cyclohexyl-1-[(1-methylsulfonylpiperidin-3-yl)amino]-1-oxobutan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 155568238
1-Benzyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
CID 21604934
Pimefyllin
CID 65597
1H-Imidazo(2,1-f)purine-2,4(3H,8H)-dione, 8-butyl-1-methyl-7-phenyl-
CID 3069971
1-benzyl-3-propyl-1H,3H-pyrido(2,1-f)purine-2,4-dione
CID 10359522
Imidazopyridine 18a
CID 5329351
Imidazopyridine 18d
CID 5329354
Psb-KD107
CID 44437220
N-(2-Chlorophenyl)-6-(4-piperidinyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 46175113
Ldn-211904 oxalate
CID 46882744
N-[5-({[(3-Fluorophenyl)carbamoyl]amino}methyl)-2-Methylphenyl]imidazo[1,2-A]pyridine-3-Carboxamide
CID 86764579
7-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 70116605

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).