N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide

C17H21N9O — CID 166507910

IUPACN-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide
SMILESCN[C@@H]1CCN(c2ncc(C(=O)Nc3cn4cc(C)nc4c(C)n3)nn2)C1
InChIInChI=1S/C17H21N9O/c1-10-7-26-9-14(21-11(2)15(26)20-10)22-16(27)13-6-19-17(24-23-13)25-5-4-12(8-25)18-3/h6-7,9,12,18H,4-5,8H2,1-3H3,(H,22,27)/t12-/m1/s1
InChIKeyZPAGVRYUWFBAMM-GFCCVEGCSA-N
MW367.42 g/mol
LogP0.58
Rot. Bonds4

About N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide

N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide (PubChem CID 166507910) has the molecular formula C17H21N9O and a molecular weight of 367.42 g/mol. Its IUPAC name is N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide
PubChem CID166507910
Molecular FormulaC17H21N9O
Molecular Weight367.42 g/mol
Exact Mass367.19
IUPAC NameN-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide
SMILESCN[C@@H]1CCN(c2ncc(C(=O)Nc3cn4cc(C)nc4c(C)n3)nn2)C1
InChIInChI=1S/C17H21N9O/c1-10-7-26-9-14(21-11(2)15(26)20-10)22-16(27)13-6-19-17(24-23-13)25-5-4-12(8-25)18-3/h6-7,9,12,18H,4-5,8H2,1-3H3,(H,22,27)/t12-/m1/s1
InChIKeyZPAGVRYUWFBAMM-GFCCVEGCSA-N
XLogP0.58
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N,1-dimethylimidazole-4-carboxamide
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CID 165415122
N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
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N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 166507966
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CID 70706289
5-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
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CID 172460642
5-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrazine-2-carboxamide
CID 75484192
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N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]-1-propyltriazole-4-carboxamide
CID 138030343
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-5-[3-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]azetidin-1-yl]pyrazine-2-carboxamide
CID 166507441
5-[(3R,4S)-3-(ethylamino)-4-fluoropyrrolidin-1-yl]-N-(8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)pyrazine-2-carboxamide
CID 166507470

Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide (CID 166507910) is N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide is CN[C@@H]1CCN(c2ncc(C(=O)Nc3cn4cc(C)nc4c(C)n3)nn2)C1.
What is the InChIKey of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide?
The InChIKey is ZPAGVRYUWFBAMM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H21N9O/c1-10-7-26-9-14(21-11(2)15(26)20-10)22-16(27)13-6-19-17(24-23-13)25-5-4-12(8-25)18-3/h6-7,9,12,18H,4-5,8H2,1-3H3,(H,22,27)/t12-/m1/s1.
What are the key properties of N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide?
N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethylimidazo[1,2-a]pyrazin-6-yl)-3-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 166507910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).