5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

C19H16Cl2N6O2 — CID 90067952

IUPAC5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESNC(=O)c1cn2c(Cl)c(-c3cccc4[nH]cc(Cl)c34)nc(N3CCOCC3)c2n1
InChIInChI=1S/C19H16Cl2N6O2/c20-11-8-23-12-3-1-2-10(14(11)12)15-16(21)27-9-13(17(22)28)24-19(27)18(25-15)26-4-6-29-7-5-26/h1-3,8-9,23H,4-7H2,(H2,22,28)
InChIKeyDGSTWWIIISOKPM-UHFFFAOYSA-N
MW431.28 g/mol
LogP3.12
Rot. Bonds3

About 5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide

5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (PubChem CID 90067952) has the molecular formula C19H16Cl2N6O2 and a molecular weight of 431.28 g/mol. Its IUPAC name is 5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
PubChem CID90067952
Molecular FormulaC19H16Cl2N6O2
Molecular Weight431.28 g/mol
Exact Mass430.07
IUPAC Name5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
SMILESNC(=O)c1cn2c(Cl)c(-c3cccc4[nH]cc(Cl)c34)nc(N3CCOCC3)c2n1
InChIInChI=1S/C19H16Cl2N6O2/c20-11-8-23-12-3-1-2-10(14(11)12)15-16(21)27-9-13(17(22)28)24-19(27)18(25-15)26-4-6-29-7-5-26/h1-3,8-9,23H,4-7H2,(H2,22,28)
InChIKeyDGSTWWIIISOKPM-UHFFFAOYSA-N
XLogP3.12
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.28
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-chloro-6-(1H-indazol-4-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 57396608
2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide
CID 54670188
3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide
CID 118438472
3-chloro-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
CID 166070006
3-(3-chloro-1H-indol-4-yl)-1,2-oxazole-5-carboxylic acid
CID 117411341
5-amino-6-(1,4-oxazepan-4-yl)pyridine-2-carboxamide
CID 114406478
ethyl 3-(2-chlorophenyl)-4-morpholin-4-yl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 53086640
N-cyclopropyl-7-(1H-indol-4-yl)-5-morpholin-4-ylimidazo[1,2-c]pyrimidine-2-carboxamide
CID 118720881
3-fluoro-2-morpholin-4-ylbenzamide
CID 157343008
5-[5-chloro-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 70695336
4-[6-(1H-indazol-4-yl)-2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 56966914
2-chloro-5-fluoro-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 146469522

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide (CID 90067952) is 5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is NC(=O)c1cn2c(Cl)c(-c3cccc4[nH]cc(Cl)c34)nc(N3CCOCC3)c2n1.
What is the InChIKey of 5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is DGSTWWIIISOKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N6O2/c20-11-8-23-12-3-1-2-10(14(11)12)15-16(21)27-9-13(17(22)28)24-19(27)18(25-15)26-4-6-29-7-5-26/h1-3,8-9,23H,4-7H2,(H2,22,28).
What are the key properties of 5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide?
5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 431.28 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-chloro-1H-indol-4-yl)-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 90067952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).