3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid

C28H30N10O3 — CID 155227794

IUPAC3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid
SMILESCc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncc(C[C@@H]4CN(c5cccc(CN)n5)CCN4C)o3)cn12
InChIInChI=1S/C28H30N10O3/c1-16-12-31-21-7-6-17(14-38(16)21)23-24(35-26(30)25(34-23)28(39)40)27-32-13-20(41-27)10-19-15-37(9-8-36(19)2)22-5-3-4-18(11-29)33-22/h3-7,12-14,19H,8-11,15,29H2,1-2H3,(H2,30,35)(H,39,40)/t19-/m1/s1
InChIKeyNFTMDUBPBBPURF-LJQANCHMSA-N
MW554.62 g/mol
LogP2.25
Rot. Bonds7

About 3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid

3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid (PubChem CID 155227794) has the molecular formula C28H30N10O3 and a molecular weight of 554.62 g/mol. Its IUPAC name is 3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid
PubChem CID155227794
Molecular FormulaC28H30N10O3
Molecular Weight554.62 g/mol
Exact Mass554.25
IUPAC Name3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid
SMILESCc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncc(C[C@@H]4CN(c5cccc(CN)n5)CCN4C)o3)cn12
InChIInChI=1S/C28H30N10O3/c1-16-12-31-21-7-6-17(14-38(16)21)23-24(35-26(30)25(34-23)28(39)40)27-32-13-20(41-27)10-19-15-37(9-8-36(19)2)22-5-3-4-18(11-29)33-22/h3-7,12-14,19H,8-11,15,29H2,1-2H3,(H2,30,35)(H,39,40)/t19-/m1/s1
InChIKeyNFTMDUBPBBPURF-LJQANCHMSA-N
XLogP2.25
TPSA177.82 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.62
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid (CID 155227794) is 3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid is Cc1cnc2ccc(-c3nc(C(=O)O)c(N)nc3-c3ncc(C[C@@H]4CN(c5cccc(CN)n5)CCN4C)o3)cn12.
What is the InChIKey of 3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid?
The InChIKey is NFTMDUBPBBPURF-LJQANCHMSA-N. The full InChI is InChI=1S/C28H30N10O3/c1-16-12-31-21-7-6-17(14-38(16)21)23-24(35-26(30)25(34-23)28(39)40)27-32-13-20(41-27)10-19-15-37(9-8-36(19)2)22-5-3-4-18(11-29)33-22/h3-7,12-14,19H,8-11,15,29H2,1-2H3,(H2,30,35)(H,39,40)/t19-/m1/s1.
What are the key properties of 3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid?
3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid has a molecular weight of 554.62 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[5-[[(2R)-4-[6-(aminomethyl)-2-pyridinyl]-1-methylpiperazin-2-yl]methyl]-1,3-oxazol-2-yl]-6-(3-methylimidazo[1,2-a]pyridin-6-yl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 155227794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).